4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one

C17H21F2NO3 — CID 169091004

IUPAC4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
SMILESO=C1CC(CCc2ccc(OC(F)F)c(OCC3CC3)c2)CN1
InChIInChI=1S/C17H21F2NO3/c18-17(19)23-14-6-5-11(1-4-13-8-16(21)20-9-13)7-15(14)22-10-12-2-3-12/h5-7,12-13,17H,1-4,8-10H2,(H,20,21)
InChIKeyVLXNWZSPSFEYDQ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.15
Rot. Bonds8

About 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one

4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one (PubChem CID 169091004) has the molecular formula C17H21F2NO3 and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
PubChem CID169091004
Molecular FormulaC17H21F2NO3
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC Name4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
SMILESO=C1CC(CCc2ccc(OC(F)F)c(OCC3CC3)c2)CN1
InChIInChI=1S/C17H21F2NO3/c18-17(19)23-14-6-5-11(1-4-13-8-16(21)20-9-13)7-15(14)22-10-12-2-3-12/h5-7,12-13,17H,1-4,8-10H2,(H,20,21)
InChIKeyVLXNWZSPSFEYDQ-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 10473302
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate
CID 89485014
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
CID 169091022
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
CID 174834345
4-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]pyrrolidin-2-one
CID 23614674
(4S)-4-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]pyrrolidin-2-one
CID 11573521
(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
CID 142869382
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one (CID 169091004) is 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one is O=C1CC(CCc2ccc(OC(F)F)c(OCC3CC3)c2)CN1.
What is the InChIKey of 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one?
The InChIKey is VLXNWZSPSFEYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO3/c18-17(19)23-14-6-5-11(1-4-13-8-16(21)20-9-13)7-15(14)22-10-12-2-3-12/h5-7,12-13,17H,1-4,8-10H2,(H,20,21).
What are the key properties of 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one?
4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one has a molecular weight of 325.35 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 169091004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).