3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C11H11ClF3NO — CID 15124812

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C11H11ClF3NO/c12-9-2-1-7(5-8(9)11(13,14)15)10(17)3-4-16-6-10/h1-2,5,16-17H,3-4,6H2
InChIKeyZUZCHCBAMFLMJO-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.54
Rot. Bonds1

About 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 15124812) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID15124812
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C11H11ClF3NO/c12-9-2-1-7(5-8(9)11(13,14)15)10(17)3-4-16-6-10/h1-2,5,16-17H,3-4,6H2
InChIKeyZUZCHCBAMFLMJO-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorophenyl)-4-hydroxypiperidine
CID 38282
3-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 200556
4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol
CID 89107
(1R,2R)-2-(tert-butylamino)-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 44531849
(1R,2R)-2-(tert-butylamino)-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol
CID 44531850
(1S,2S)-2-(tert-butylamino)-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol
CID 90683347
3-(4-(Trifluoromethyl)phenyl)pyrrolidin-3-ol hydrochloride
CID 120895
4-Piperidinol, 4-(4-chlorophenyl)-, hydrochloride
CID 3047456
3-Pyrrolidinol, 3-(o-chlorophenyl)-, hydrochloride
CID 3051543
3-(4-Chlorophenyl)pyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051545
3-(3-Chlorophenyl)-2-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051549
3-Pyrrolidinol, 3-(p-chlorophenyl)-2-methyl-, hydrochloride
CID 3051553

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 15124812) is 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCNC1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is ZUZCHCBAMFLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-9-2-1-7(5-8(9)11(13,14)15)10(17)3-4-16-6-10/h1-2,5,16-17H,3-4,6H2.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 265.66 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 15124812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).