[(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol

C12H13ClF3NO — CID 122485789

IUPAC[(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF3NO/c13-11-6-8(3-4-10(11)12(14,15)16)17-5-1-2-9(17)7-18/h3-4,6,9,18H,1-2,5,7H2/t9-/m1/s1
InChIKeyNVQSGBVZAKUAPZ-SECBINFHSA-N
MW279.69 g/mol
LogP3.32
Rot. Bonds2

About [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol

[(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol (PubChem CID 122485789) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
PubChem CID122485789
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name[(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF3NO/c13-11-6-8(3-4-10(11)12(14,15)16)17-5-1-2-9(17)7-18/h3-4,6,9,18H,1-2,5,7H2/t9-/m1/s1
InChIKeyNVQSGBVZAKUAPZ-SECBINFHSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol (CID 122485789) is [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is NVQSGBVZAKUAPZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c13-11-6-8(3-4-10(11)12(14,15)16)17-5-1-2-9(17)7-18/h3-4,6,9,18H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 279.69 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 122485789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).