3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene

C8H10F6 — CID 174975594

IUPAC3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene
SMILESCCCCC(=C(F)C(F)(F)F)C(F)F
InChIInChI=1S/C8H10F6/c1-2-3-4-5(7(10)11)6(9)8(12,13)14/h7H,2-4H2,1H3
InChIKeyUUIBIMIOTHGKFG-UHFFFAOYSA-N
MW220.16 g/mol
LogP4.23
Rot. Bonds4

About 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene

3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene (PubChem CID 174975594) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene.

Molecular Properties

Compound Name3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene
PubChem CID174975594
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene
SMILESCCCCC(=C(F)C(F)(F)F)C(F)F
InChIInChI=1S/C8H10F6/c1-2-3-4-5(7(10)11)6(9)8(12,13)14/h7H,2-4H2,1H3
InChIKeyUUIBIMIOTHGKFG-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tributyl-fluoro-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-lambda5-phosphane
CID 12589476
tributyl-fluoro-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-λ5-phosphane
CID 11727878
1-chloro-1-fluorohexan-2-one
CID 45119049
pentanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 159071922
1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tetradecane
CID 175204949
5-(difluoromethylidene)nonane
CID 86233125
1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473659
heptadecane;hypofluorous acid
CID 158426244
1,1,2-trifluorohexan-1-ol
CID 142765310
1,1-difluoro-2-methylhexan-2-amine
CID 131163407
pentane;2,2,2-trifluoroacetic acid
CID 161039566
(Z)-1,1,1,2,3,4,4-heptafluorohex-2-ene
CID 124671886

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene?
The IUPAC name of 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene (CID 174975594) is 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene.
What is the SMILES notation for 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene?
The canonical SMILES for 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene is CCCCC(=C(F)C(F)(F)F)C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene?
The InChIKey is UUIBIMIOTHGKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6/c1-2-3-4-5(7(10)11)6(9)8(12,13)14/h7H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene?
3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene has a molecular weight of 220.16 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,1,1,2-tetrafluorohept-2-ene is sourced from PubChem (CID 174975594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).