[4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone

C18H15ClF3NO2 — CID 67277726

IUPAC[4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc(Cl)ccc2O)cc1C(F)(F)F)N1CCCC1
InChIInChI=1S/C18H15ClF3NO2/c19-12-4-6-16(24)14(10-12)11-3-5-13(15(9-11)18(20,21)22)17(25)23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8H2
InChIKeyQZLKWSVRKZSQDQ-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.97
Rot. Bonds2

About [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone

[4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 67277726) has the molecular formula C18H15ClF3NO2 and a molecular weight of 369.77 g/mol. Its IUPAC name is [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID67277726
Molecular FormulaC18H15ClF3NO2
Molecular Weight369.77 g/mol
Exact Mass369.07
IUPAC Name[4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc(Cl)ccc2O)cc1C(F)(F)F)N1CCCC1
InChIInChI=1S/C18H15ClF3NO2/c19-12-4-6-16(24)14(10-12)11-3-5-13(15(9-11)18(20,21)22)17(25)23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8H2
InChIKeyQZLKWSVRKZSQDQ-UHFFFAOYSA-N
XLogP4.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone (CID 67277726) is [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2cc(Cl)ccc2O)cc1C(F)(F)F)N1CCCC1.
What is the InChIKey of [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QZLKWSVRKZSQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO2/c19-12-4-6-16(24)14(10-12)11-3-5-13(15(9-11)18(20,21)22)17(25)23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8H2.
What are the key properties of [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 369.77 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 67277726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).