(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C14H18F3NO — CID 125492642

IUPAC(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCNC1
InChIInChI=1S/C14H18F3NO/c1-2-13(19,12-6-7-18-9-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8,12,18-19H,2,6-7,9H2,1H3/t12-,13+/m1/s1
InChIKeyVZXKBJUDLKBCBJ-OLZOCXBDSA-N
MW273.30 g/mol
LogP2.91
Rot. Bonds3

About (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol

(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 125492642) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID125492642
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCNC1
InChIInChI=1S/C14H18F3NO/c1-2-13(19,12-6-7-18-9-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8,12,18-19H,2,6-7,9H2,1H3/t12-,13+/m1/s1
InChIKeyVZXKBJUDLKBCBJ-OLZOCXBDSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol 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

(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 95560258
(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
CID 71163984
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67188318
1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol
CID 558630
3-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115040778
[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
CID 115033504
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 116996854

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 125492642) is (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol is CC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCNC1.
What is the InChIKey of (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is VZXKBJUDLKBCBJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-13(19,12-6-7-18-9-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8,12,18-19H,2,6-7,9H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 125492642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).