[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

C20H26F2N2O3 — CID 156610769

IUPAC[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)C2(c3ccc(OC)cc3)CC2)C1
InChIInChI=1S/C20H26F2N2O3/c1-26-12-15-9-20(21,22)13-24(15)16-10-23(11-16)18(25)19(7-8-19)14-3-5-17(27-2)6-4-14/h3-6,15-16H,7-13H2,1-2H3
InChIKeyINJYIGDTCXGHIO-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.29
Rot. Bonds6

About [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 156610769) has the molecular formula C20H26F2N2O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID156610769
Molecular FormulaC20H26F2N2O3
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)C2(c3ccc(OC)cc3)CC2)C1
InChIInChI=1S/C20H26F2N2O3/c1-26-12-15-9-20(21,22)13-24(15)16-10-23(11-16)18(25)19(7-8-19)14-3-5-17(27-2)6-4-14/h3-6,15-16H,7-13H2,1-2H3
InChIKeyINJYIGDTCXGHIO-UHFFFAOYSA-N
XLogP2.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (CID 156610769) is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is COCC1CC(F)(F)CN1C1CN(C(=O)C2(c3ccc(OC)cc3)CC2)C1.
What is the InChIKey of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is INJYIGDTCXGHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O3/c1-26-12-15-9-20(21,22)13-24(15)16-10-23(11-16)18(25)19(7-8-19)14-3-5-17(27-2)6-4-14/h3-6,15-16H,7-13H2,1-2H3.
What are the key properties of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 380.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 156610769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).