[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone

C19H18F3NO — CID 24724815

IUPAC[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)17-8-6-15(7-9-17)18(24)16-5-3-4-14(12-16)13-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2
InChIKeyHXSZCZUWEOAKJY-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.53
Rot. Bonds4

About [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone

[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 24724815) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID24724815
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)17-8-6-15(7-9-17)18(24)16-5-3-4-14(12-16)13-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2
InChIKeyHXSZCZUWEOAKJY-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24724847
(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822

Frequently Asked Questions

What is the IUPAC name of [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone (CID 24724815) is [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2)c1.
What is the InChIKey of [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HXSZCZUWEOAKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c20-19(21,22)17-8-6-15(7-9-17)18(24)16-5-3-4-14(12-16)13-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2.
What are the key properties of [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone?
[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 333.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24724815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).