1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane

C10H15F3 — CID 166820569

IUPAC1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane
SMILESCC(C)C12CCC1C(C(F)(F)F)C2
InChIInChI=1S/C10H15F3/c1-6(2)9-4-3-7(9)8(5-9)10(11,12)13/h6-8H,3-5H2,1-2H3
InChIKeyCCCODTWPVVFWAD-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.62
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane

1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane (PubChem CID 166820569) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane
PubChem CID166820569
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane
SMILESCC(C)C12CCC1C(C(F)(F)F)C2
InChIInChI=1S/C10H15F3/c1-6(2)9-4-3-7(9)8(5-9)10(11,12)13/h6-8H,3-5H2,1-2H3
InChIKeyCCCODTWPVVFWAD-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane 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

(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 143295904
(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 91753443
(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
CID 166500332
tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane
CID 11065465
1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea
CID 166299921
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol
CID 166304176
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
2-methyl-4-(5-propan-2-yl-2-bicyclo[3.1.0]hexanyl)but-2-enal
CID 177163973
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170588350
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane (CID 166820569) is 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane is CC(C)C12CCC1C(C(F)(F)F)C2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane?
The InChIKey is CCCODTWPVVFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-6(2)9-4-3-7(9)8(5-9)10(11,12)13/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane?
1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane has a molecular weight of 192.22 g/mol, XLogP of 3.62, 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-3-(trifluoromethyl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 166820569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).