(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate

C17H29FO2 — CID 158761805

IUPAC(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate
SMILESCCC[C@@H](F)C(=O)OC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H29FO2/c1-2-9-15(18)16(19)20-17(12-7-4-8-13-17)14-10-5-3-6-11-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyIOTOFTJVSNGAJY-OAHLLOKOSA-N
MW284.41 g/mol
LogP4.95
Rot. Bonds5

About (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate

(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate (PubChem CID 158761805) has the molecular formula C17H29FO2 and a molecular weight of 284.41 g/mol. Its IUPAC name is (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate.

Molecular Properties

Compound Name(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate
PubChem CID158761805
Molecular FormulaC17H29FO2
Molecular Weight284.41 g/mol
Exact Mass284.22
IUPAC Name(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate
SMILESCCC[C@@H](F)C(=O)OC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H29FO2/c1-2-9-15(18)16(19)20-17(12-7-4-8-13-17)14-10-5-3-6-11-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyIOTOFTJVSNGAJY-OAHLLOKOSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate 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

3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
CID 121273660
(1-cyclohexylcyclopentyl) acetate
CID 12039389
1-O-(1-cyclopentylcyclohexyl) 4-O-(1-ethylcyclohexyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372407
(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride
CID 6218
CID 173019638
CID 173019638
(1-cyclobutylcyclopentyl) acetate
CID 177097462
(1-cyclohexylcyclopropyl) acetate
CID 91131251
1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443098
(E)-4-oxo-4-[1-(4-pentan-2-ylcyclohexyl)cyclopentyl]oxybut-2-enoic acid
CID 172565499
(1-cyclopentylcyclohexyl) 4-methylperoxybut-2-enoate
CID 72611564
2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate
CID 139468482
(1-cyclohexylcyclopentyl) 2,2-dimethylbutanoate;(1-ethylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate
CID 91140508

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate?
The IUPAC name of (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate (CID 158761805) is (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate.
What is the SMILES notation for (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate?
The canonical SMILES for (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate is CCC[C@@H](F)C(=O)OC1(C2CCCCC2)CCCCC1.
What is the InChIKey of (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate?
The InChIKey is IOTOFTJVSNGAJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29FO2/c1-2-9-15(18)16(19)20-17(12-7-4-8-13-17)14-10-5-3-6-11-14/h14-15H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate?
(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate has a molecular weight of 284.41 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate is sourced from PubChem (CID 158761805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).