3,3-bis(trifluoromethyl)oct-4-ene

C10H14F6 — CID 151320386

IUPAC3,3-bis(trifluoromethyl)oct-4-ene
SMILESCCCC=CC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6/c1-3-5-6-7-8(4-2,9(11,12)13)10(14,15)16/h6-7H,3-5H2,1-2H3
InChIKeyOGIGJNGTCGZRLO-UHFFFAOYSA-N
MW248.21 g/mol
LogP4.86
Rot. Bonds4

About 3,3-bis(trifluoromethyl)oct-4-ene

3,3-bis(trifluoromethyl)oct-4-ene (PubChem CID 151320386) has the molecular formula C10H14F6 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3,3-bis(trifluoromethyl)oct-4-ene.

Molecular Properties

Compound Name3,3-bis(trifluoromethyl)oct-4-ene
PubChem CID151320386
Molecular FormulaC10H14F6
Molecular Weight248.21 g/mol
Exact Mass248.10
IUPAC Name3,3-bis(trifluoromethyl)oct-4-ene
SMILESCCCC=CC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6/c1-3-5-6-7-8(4-2,9(11,12)13)10(14,15)16/h6-7H,3-5H2,1-2H3
InChIKeyOGIGJNGTCGZRLO-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 54.86
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)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
CID 98453175
(E)-2,2-dimethylhept-3-ene
CID 5352650
(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene
CID 90708717
1,1,1-trifluorohept-2-ene
CID 2782636
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
(E)-2,2-dimethylhept-3-en-1-ol
CID 130125025
1-fluoropent-1-ene
CID 54278285
(2E,5E)-1,1,1-trifluoronona-2,5-dien-4-one
CID 51357228
2-but-1-enyl-2-ethylhept-3-en-1-ol
CID 151580636
(Z)-5-ethyl-5-fluorododec-6-ene
CID 84820815

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(trifluoromethyl)oct-4-ene?
The IUPAC name of 3,3-bis(trifluoromethyl)oct-4-ene (CID 151320386) is 3,3-bis(trifluoromethyl)oct-4-ene.
What is the SMILES notation for 3,3-bis(trifluoromethyl)oct-4-ene?
The canonical SMILES for 3,3-bis(trifluoromethyl)oct-4-ene is CCCC=CC(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3-bis(trifluoromethyl)oct-4-ene?
The InChIKey is OGIGJNGTCGZRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6/c1-3-5-6-7-8(4-2,9(11,12)13)10(14,15)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,3-bis(trifluoromethyl)oct-4-ene?
3,3-bis(trifluoromethyl)oct-4-ene has a molecular weight of 248.21 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(trifluoromethyl)oct-4-ene is sourced from PubChem (CID 151320386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).