2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone

C15H21F3O — CID 114247099

IUPAC2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)C1CC2CCC1C2
InChIInChI=1S/C15H21F3O/c16-15(17,18)12-3-1-2-11(8-12)14(19)13-7-9-4-5-10(13)6-9/h9-13H,1-8H2
InChIKeyOFISCVNJNSAXMB-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.36
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone

2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 114247099) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID114247099
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)C1CC2CCC1C2
InChIInChI=1S/C15H21F3O/c16-15(17,18)12-3-1-2-11(8-12)14(19)13-7-9-4-5-10(13)6-9/h9-13H,1-8H2
InChIKeyOFISCVNJNSAXMB-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone 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

cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
1-(2-bicyclo[2.2.1]heptanyl)-2-chloro-2,2-difluoroethanone
CID 130494478
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 124504890
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
trans-(1R,3R)-3-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 97010124
N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887822
N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81470117
3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
2-bicyclo[2.2.1]heptanyl(thian-2-yl)methanone
CID 80595866

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone (CID 114247099) is 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCC(C(F)(F)F)C1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is OFISCVNJNSAXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c16-15(17,18)12-3-1-2-11(8-12)14(19)13-7-9-4-5-10(13)6-9/h9-13H,1-8H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone?
2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 274.33 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 114247099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).