1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene

C8H7F9 — CID 54506963

IUPAC1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene
SMILESCCC=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h3-4H,2H2,1H3
InChIKeyYGKDZXLBXCLTRC-UHFFFAOYSA-N
MW274.13 g/mol
LogP4.63
Rot. Bonds2

About 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene

1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene (PubChem CID 54506963) has the molecular formula C8H7F9 and a molecular weight of 274.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene
PubChem CID54506963
Molecular FormulaC8H7F9
Molecular Weight274.13 g/mol
Exact Mass274.04
IUPAC Name1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene
SMILESCCC=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h3-4H,2H2,1H3
InChIKeyYGKDZXLBXCLTRC-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 54.63
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

(E)-1,1-difluoro-1-methylsulfanylpent-2-ene
CID 147244810
(E)-2,2-dimethylhex-3-ene
CID 5357261
(E)-2,2-difluorohex-3-enoic acid
CID 21432334
pent-2-ene-1,1,1-triamine
CID 91102245
(Z)-4,4-difluorooct-5-en-3-ol
CID 173450253
8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene
CID 123611335
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
CID 163696706
5-but-1-enyl-5-prop-2-enylnona-3,6-diene
CID 173069698
[(E)-3-ethylhept-4-en-3-yl]azanium chloride
CID 6434664
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene?
The IUPAC name of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene (CID 54506963) is 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene.
What is the SMILES notation for 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene?
The canonical SMILES for 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene is CCC=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene?
The InChIKey is YGKDZXLBXCLTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h3-4H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene?
1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene has a molecular weight of 274.13 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene is sourced from PubChem (CID 54506963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).