4,5-bis(trifluoromethyl)oct-4-ene

C10H14F6 — CID 140514090

IUPAC4,5-bis(trifluoromethyl)oct-4-ene
SMILESCCCC(=C(CCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6/c1-3-5-7(9(11,12)13)8(6-4-2)10(14,15)16/h3-6H2,1-2H3
InChIKeyOGYGWHRFVOFLKG-UHFFFAOYSA-N
MW248.21 g/mol
LogP5.01
Rot. Bonds4

About 4,5-bis(trifluoromethyl)oct-4-ene

4,5-bis(trifluoromethyl)oct-4-ene (PubChem CID 140514090) has the molecular formula C10H14F6 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4,5-bis(trifluoromethyl)oct-4-ene.

Molecular Properties

Compound Name4,5-bis(trifluoromethyl)oct-4-ene
PubChem CID140514090
Molecular FormulaC10H14F6
Molecular Weight248.21 g/mol
Exact Mass248.10
IUPAC Name4,5-bis(trifluoromethyl)oct-4-ene
SMILESCCCC(=C(CCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6/c1-3-5-7(9(11,12)13)8(6-4-2)10(14,15)16/h3-6H2,1-2H3
InChIKeyOGYGWHRFVOFLKG-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.21
LogP ≤ 55.01
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)-3-(trifluoromethyl)hex-2-ene
CID 145226506
butanoic acid;2,2,2-trifluoroacetic acid
CID 22460941
(Z)-4-(trifluoromethyl)hept-3-ene
CID 174331610
(E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol
CID 139923909
(E)-3-methyl-4-(trifluoromethyl)hex-3-ene
CID 162602319
europium;1,1,1-trifluoroheptane-2,4-dione
CID 159104336
N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide
CID 162572267
1,1,1-trifluoropropan-2-yl butanoate
CID 135290882
bis(2-butanoyl-2-methylpropanedioate);titanium(4+)
CID 175928304
(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) butanoate
CID 53438395
2-chloro-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-propyldec-2-enoic acid
CID 150733821
pentane;2,2,2-trifluoroacetic acid
CID 161039566

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(trifluoromethyl)oct-4-ene?
The IUPAC name of 4,5-bis(trifluoromethyl)oct-4-ene (CID 140514090) is 4,5-bis(trifluoromethyl)oct-4-ene.
What is the SMILES notation for 4,5-bis(trifluoromethyl)oct-4-ene?
The canonical SMILES for 4,5-bis(trifluoromethyl)oct-4-ene is CCCC(=C(CCC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5-bis(trifluoromethyl)oct-4-ene?
The InChIKey is OGYGWHRFVOFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6/c1-3-5-7(9(11,12)13)8(6-4-2)10(14,15)16/h3-6H2,1-2H3.
What are the key properties of 4,5-bis(trifluoromethyl)oct-4-ene?
4,5-bis(trifluoromethyl)oct-4-ene has a molecular weight of 248.21 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(trifluoromethyl)oct-4-ene is sourced from PubChem (CID 140514090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).