1,1,1-trifluoro-2-methylhex-2-ene

C7H11F3 — CID 54402325

IUPAC1,1,1-trifluoro-2-methylhex-2-ene
SMILESCCCC=C(C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-3-4-5-6(2)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyWJYVLWCCNXMGSK-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.30
Rot. Bonds2

About 1,1,1-trifluoro-2-methylhex-2-ene

1,1,1-trifluoro-2-methylhex-2-ene (PubChem CID 54402325) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylhex-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylhex-2-ene
PubChem CID54402325
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name1,1,1-trifluoro-2-methylhex-2-ene
SMILESCCCC=C(C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-3-4-5-6(2)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyWJYVLWCCNXMGSK-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-2-methylhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
2,2,3-trimethylhept-3-ene
CID 73411222
2,3-dimethylhept-3-en-2-ol
CID 175454494
5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
CID 79599341
4-bromo-1,1,1-trifluoro-2-methylbut-2-ene
CID 54541148
N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
CID 79607121
4-butoxy-1,1,1-trifluoro-2-methylbut-2-ene
CID 123790817
(E)-2-chlorohex-2-ene
CID 19796923
(2E)-1,1,1-trifluoro-2,6-dimethylhepta-2,5-diene
CID 146756954
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
8,8,8-trifluoro-3,7-dimethyloct-6-en-1-ol
CID 123639107
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylhex-2-ene?
The IUPAC name of 1,1,1-trifluoro-2-methylhex-2-ene (CID 54402325) is 1,1,1-trifluoro-2-methylhex-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-2-methylhex-2-ene?
The canonical SMILES for 1,1,1-trifluoro-2-methylhex-2-ene is CCCC=C(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylhex-2-ene?
The InChIKey is WJYVLWCCNXMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-3-4-5-6(2)7(8,9)10/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methylhex-2-ene?
1,1,1-trifluoro-2-methylhex-2-ene has a molecular weight of 152.16 g/mol, XLogP of 3.30, 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-methylhex-2-ene is sourced from PubChem (CID 54402325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).