1-propan-2-yl-4-(trifluoromethyl)cyclohexene

C10H15F3 — CID 58270178

IUPAC1-propan-2-yl-4-(trifluoromethyl)cyclohexene
SMILESCC(C)C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3,7,9H,4-6H2,1-2H3
InChIKeyMUGURKOTJLDBHM-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.93
Rot. Bonds1

About 1-propan-2-yl-4-(trifluoromethyl)cyclohexene

1-propan-2-yl-4-(trifluoromethyl)cyclohexene (PubChem CID 58270178) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-propan-2-yl-4-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-propan-2-yl-4-(trifluoromethyl)cyclohexene
PubChem CID58270178
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1-propan-2-yl-4-(trifluoromethyl)cyclohexene
SMILESCC(C)C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3,7,9H,4-6H2,1-2H3
InChIKeyMUGURKOTJLDBHM-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.93
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

Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
1-Methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene
CID 5316213
(+)-p-Menth-3-ene
CID 23616903
Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
1-Ethyl-4-(1-methylethenyl)cyclohexene
CID 12310467
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
Iso-sylvestrene
CID 45934424
(3S)-1-methyl-3-prop-1-en-2-ylcyclohexene
CID 101606567
(R)-2,6-Dimethyl-8,8-difluoro-2-octene
CID 101488936
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
5-Methyl-1-propylcyclohexene
CID 21720468

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)cyclohexene (CID 58270178) is 1-propan-2-yl-4-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-propan-2-yl-4-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-propan-2-yl-4-(trifluoromethyl)cyclohexene is CC(C)C1=CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-4-(trifluoromethyl)cyclohexene?
The InChIKey is MUGURKOTJLDBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3,7,9H,4-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(trifluoromethyl)cyclohexene?
1-propan-2-yl-4-(trifluoromethyl)cyclohexene has a molecular weight of 192.22 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 58270178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).