(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C14H18F3NO — CID 70247468

IUPAC(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESO[C@@H](CCN1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-5-3-11(4-6-12)13(19)7-10-18-8-1-2-9-18/h3-6,13,19H,1-2,7-10H2/t13-/m0/s1
InChIKeySQMTWXOPONSSNB-ZDUSSCGKSA-N
MW273.30 g/mol
LogP3.22
Rot. Bonds4

About (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 70247468) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID70247468
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESO[C@@H](CCN1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-5-3-11(4-6-12)13(19)7-10-18-8-1-2-9-18/h3-6,13,19H,1-2,7-10H2/t13-/m0/s1
InChIKeySQMTWXOPONSSNB-ZDUSSCGKSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 142203549
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
CID 84558640
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82074348
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567

Frequently Asked Questions

What is the IUPAC name of (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 70247468) is (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is O[C@@H](CCN1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is SQMTWXOPONSSNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-5-3-11(4-6-12)13(19)7-10-18-8-1-2-9-18/h3-6,13,19H,1-2,7-10H2/t13-/m0/s1.
What are the key properties of (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 70247468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).