6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene

C24H27F21 — CID 91535959

IUPAC6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
SMILESC=CCC(CC(C)(C)F)CC(F)(C(F)(F)F)C(F)(F)F.C=CCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F13.C12H16F8/c1-2-3-6(9(14,15)16)4-7(10(17,18)19)5-8(13,11(20,21)22)12(23,24)25;1-4-5-8(6-9(2,3)13)7-10(14,11(15,16)17)12(18,19)20/h2,6-7H,1,3-5H2;4,8H,1,5-7H2,2-3H3
InChIKeyNXFUFAQEJXVJSS-UHFFFAOYSA-N
MW714.44 g/mol
LogP12.07
Rot. Bonds12

About 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene

6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene (PubChem CID 91535959) has the molecular formula C24H27F21 and a molecular weight of 714.44 g/mol. Its IUPAC name is 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene.

Molecular Properties

Compound Name6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
PubChem CID91535959
Molecular FormulaC24H27F21
Molecular Weight714.44 g/mol
Exact Mass714.18
IUPAC Name6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
SMILESC=CCC(CC(C)(C)F)CC(F)(C(F)(F)F)C(F)(F)F.C=CCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F13.C12H16F8/c1-2-3-6(9(14,15)16)4-7(10(17,18)19)5-8(13,11(20,21)22)12(23,24)25;1-4-5-8(6-9(2,3)13)7-10(14,11(15,16)17)12(18,19)20/h2,6-7H,1,3-5H2;4,8H,1,5-7H2,2-3H3
InChIKeyNXFUFAQEJXVJSS-UHFFFAOYSA-N
XLogP12.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.44
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene with MolForge

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Related Compounds

6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
CID 58901154
1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
CID 143403547
6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene
CID 87159227
6-iodo-4,6-bis(trifluoromethyl)oct-1-ene
CID 143087548
1-[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl]sulfanylbutan-2-ol
CID 162582866
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
[2-hydroxy-3-[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl]sulfanylpropyl]-trimethylazanium chloride
CID 162320824
3,3,7,8,8,8-hexafluoro-5,7-bis(trifluoromethyl)octane-1-thiol
CID 59721664
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
CID 58901248
ethene;4-ethylhex-1-ene
CID 159399050
(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
CID 129359665
4-(chloromethyl)-6,6-difluorooct-1-ene
CID 165443006

Frequently Asked Questions

What is the IUPAC name of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene?
The IUPAC name of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene (CID 91535959) is 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene.
What is the SMILES notation for 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene?
The canonical SMILES for 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene is C=CCC(CC(C)(C)F)CC(F)(C(F)(F)F)C(F)(F)F.C=CCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene?
The InChIKey is NXFUFAQEJXVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F13.C12H16F8/c1-2-3-6(9(14,15)16)4-7(10(17,18)19)5-8(13,11(20,21)22)12(23,24)25;1-4-5-8(6-9(2,3)13)7-10(14,11(15,16)17)12(18,19)20/h2,6-7H,1,3-5H2;4,8H,1,5-7H2,2-3H3.
What are the key properties of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene?
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene has a molecular weight of 714.44 g/mol, XLogP of 12.07, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene is sourced from PubChem (CID 91535959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).