3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene

C10H13F3 — CID 134981984

IUPAC3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
SMILESC=C(C1=CC(C)CCC1)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-7-4-3-5-9(6-7)8(2)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyARYHRHOYLZGZPU-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.85
Rot. Bonds1

About 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene

3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene (PubChem CID 134981984) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
PubChem CID134981984
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
SMILESC=C(C1=CC(C)CCC1)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-7-4-3-5-9(6-7)8(2)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyARYHRHOYLZGZPU-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene 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

gamma-Curcumene
CID 12304273
p-Mentha-3,8-diene
CID 521851
1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
CID 6428861
1-Methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
CID 71404158
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
(4R)-4-Methyl-1-(prop-1-en-2-yl)cyclohex-1-ene
CID 12354212
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
(E,8S)-8-(trifluoromethyl)tetradec-6-ene
CID 162401663
3-Methyl-1-(prop-1-en-2-yl)cyclohex-1-ene
CID 21572726
Cyclohexene, 1,3-diisopropenyl-6-methyl-
CID 577052
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohexene
CID 23233576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene (CID 134981984) is 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene is C=C(C1=CC(C)CCC1)C(F)(F)F.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
The InChIKey is ARYHRHOYLZGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-7-4-3-5-9(6-7)8(2)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene has a molecular weight of 190.21 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene is sourced from PubChem (CID 134981984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).