(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine

C11H18F3N — CID 138040164

IUPAC(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)[C@@H]1C[C@@H](C2CCCCC2)CN1
InChIInChI=1S/C11H18F3N/c12-11(13,14)10-6-9(7-15-10)8-4-2-1-3-5-8/h8-10,15H,1-7H2/t9-,10+/m1/s1
InChIKeyNIVSKRVYALPDTK-ZJUUUORDSA-N
MW221.27 g/mol
LogP3.11
Rot. Bonds1

About (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine

(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine (PubChem CID 138040164) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
PubChem CID138040164
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)[C@@H]1C[C@@H](C2CCCCC2)CN1
InChIInChI=1S/C11H18F3N/c12-11(13,14)10-6-9(7-15-10)8-4-2-1-3-5-8/h8-10,15H,1-7H2/t9-,10+/m1/s1
InChIKeyNIVSKRVYALPDTK-ZJUUUORDSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine 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

2-Cyclohexylpyrrolidine
CID 4637746
3-Cyclohexylpyrrolidine
CID 3159730
2-(Cyclohexylmethyl)pyrrolidine
CID 4442674
Pyrrolidine, 3-(4,4-difluorocyclohexyl)-
CID 89500824
3-Cyclohexylpyrrolidine hydrochloride
CID 122156668
8,8-Difluoro-1-azaspiro(4.5)decane hydrochloride
CID 126843941
3-(2,2,2-Trifluoroethyl)-8-azabicyclo(3.2.1)octane
CID 132327689
3-(2,2-Difluoroethyl)-8-azabicyclo(3.2.1)octane hydrochloride
CID 137838125
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
(4R)-4-(fluoromethyl)-2-azaspiro[4.5]decane
CID 129493367
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
(S)-2-Cyclohexylpyrrolidine
CID 51385317

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine (CID 138040164) is (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine is FC(F)(F)[C@@H]1C[C@@H](C2CCCCC2)CN1.
What is the InChIKey of (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is NIVSKRVYALPDTK-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18F3N/c12-11(13,14)10-6-9(7-15-10)8-4-2-1-3-5-8/h8-10,15H,1-7H2/t9-,10+/m1/s1.
What are the key properties of (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine?
(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 138040164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).