4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene

C7H7F7 — CID 58936765

IUPAC4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7/c1-4(6(9,10)11)3-5(2,8)7(12,13)14/h1,3H2,2H3
InChIKeyIRCLSLDAPYVUHW-UHFFFAOYSA-N
MW224.12 g/mol
LogP3.79
Rot. Bonds2

About 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene

4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene (PubChem CID 58936765) has the molecular formula C7H7F7 and a molecular weight of 224.12 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene
PubChem CID58936765
Molecular FormulaC7H7F7
Molecular Weight224.12 g/mol
Exact Mass224.04
IUPAC Name4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7/c1-4(6(9,10)11)3-5(2,8)7(12,13)14/h1,3H2,2H3
InChIKeyIRCLSLDAPYVUHW-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
CID 137451352
3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
CID 20793151
2,4,4-trifluoropent-1-ene
CID 118215285
3,4,4,4-tetrafluoro-3-methylbutan-1-ol
CID 142168875
4-bromo-2-(trifluoromethyl)pent-1-ene
CID 152936675
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)but-3-en-2-ol
CID 162534784
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
ethane;3,3,3-trifluoroprop-1-en-2-ol
CID 142267098
formic acid;3,3,3-trifluoro-2-methylprop-1-ene
CID 169187279
(4Z,6Z)-6-methyl-2-(trifluoromethyl)octa-1,4,6-triene
CID 143956336
2-(bromomethyl)-3,3,3-trifluoroprop-1-ene;methyl acetate
CID 75529888

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene (CID 58936765) is 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene is C=C(CC(C)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene?
The InChIKey is IRCLSLDAPYVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7/c1-4(6(9,10)11)3-5(2,8)7(12,13)14/h1,3H2,2H3.
What are the key properties of 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene?
4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene has a molecular weight of 224.12 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 58936765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).