5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one

C22H25F2NO2 — CID 146723962

IUPAC5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
SMILESO=C(CCCC(F)(F)c1cccc(OCc2ccccc2)c1)N1CCCC1
InChIInChI=1S/C22H25F2NO2/c23-22(24,13-7-12-21(26)25-14-4-5-15-25)19-10-6-11-20(16-19)27-17-18-8-2-1-3-9-18/h1-3,6,8-11,16H,4-5,7,12-15,17H2
InChIKeyRFNLPMPHHZLKPQ-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.15
Rot. Bonds8

About 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one

5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 146723962) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
PubChem CID146723962
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
SMILESO=C(CCCC(F)(F)c1cccc(OCc2ccccc2)c1)N1CCCC1
InChIInChI=1S/C22H25F2NO2/c23-22(24,13-7-12-21(26)25-14-4-5-15-25)19-10-6-11-20(16-19)27-17-18-8-2-1-3-9-18/h1-3,6,8-11,16H,4-5,7,12-15,17H2
InChIKeyRFNLPMPHHZLKPQ-UHFFFAOYSA-N
XLogP5.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119415304
3-[(2,2-difluoro-2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 116789287
4-(3-bromophenoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 112760327
1,1,1-trifluoro-5-(3-phenylmethoxyphenoxy)pentan-2-one
CID 25017856
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 119416917
6-(3-hydroxyphenyl)-6-methyl-1-morpholin-4-ylheptan-1-one;(2E,4E)-6-methyl-1-morpholin-4-yl-6-(3-phenylmethoxyphenyl)hepta-2,4-dien-1-one;molecular hydrogen
CID 162070529
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
N-[2-[3-(3-phenylmethoxyphenyl)prop-2-enoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736389
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one (CID 146723962) is 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one is O=C(CCCC(F)(F)c1cccc(OCc2ccccc2)c1)N1CCCC1.
What is the InChIKey of 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is RFNLPMPHHZLKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c23-22(24,13-7-12-21(26)25-14-4-5-15-25)19-10-6-11-20(16-19)27-17-18-8-2-1-3-9-18/h1-3,6,8-11,16H,4-5,7,12-15,17H2.
What are the key properties of 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one?
5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 373.44 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 146723962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).