1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene

C8H9F7 — CID 23264459

IUPAC1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene
SMILESCCCCC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F7/c1-2-3-4-5(9)6(7(10,11)12)8(13,14)15/h2-4H2,1H3
InChIKeyPOYIJHSHWTXHBA-UHFFFAOYSA-N
MW238.15 g/mol
LogP4.52
Rot. Bonds3

About 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene

1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene (PubChem CID 23264459) has the molecular formula C8H9F7 and a molecular weight of 238.15 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene
PubChem CID23264459
Molecular FormulaC8H9F7
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Name1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene
SMILESCCCCC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F7/c1-2-3-4-5(9)6(7(10,11)12)8(13,14)15/h2-4H2,1H3
InChIKeyPOYIJHSHWTXHBA-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
Pentafluoromethylcyclopent-1-ene
CID 87084299
1,1,1-Trifluoro-2-(trifluoromethyl)hex-2-ene
CID 640488
1,1,1-Trifluoro-2-(trifluoromethyl)hept-2-ene
CID 13027673
5,5,6,6,7,7,7-Heptafluoro-2-methyl-2-heptene
CID 24973628
3,3,4,4-Tetrafluoro-1,2-dipropylcyclobutene
CID 276075
1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene
CID 612205
(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene
CID 10536877
3,3-Difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene
CID 11806048
1,1,1,3,3,3-Hexafluoropropan-2-ylidenecyclopentane
CID 23263358
1,3,3,4,6,6-Hexafluoro-2,5-dimethylcyclohexa-1,4-diene
CID 71374055

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene?
The IUPAC name of 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene (CID 23264459) is 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene.
What is the SMILES notation for 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene?
The canonical SMILES for 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene is CCCCC(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene?
The InChIKey is POYIJHSHWTXHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7/c1-2-3-4-5(9)6(7(10,11)12)8(13,14)15/h2-4H2,1H3.
What are the key properties of 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene?
1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene has a molecular weight of 238.15 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-2-ene is sourced from PubChem (CID 23264459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).