(3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone

C13H14F3NO — CID 145418210

IUPAC(3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CN(CCCF)C1
InChIInChI=1S/C13H14F3NO/c14-2-1-3-17-7-10(8-17)13(18)9-4-11(15)6-12(16)5-9/h4-6,10H,1-3,7-8H2
InChIKeyMBMSFWJWLWUDCQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.44
Rot. Bonds5

About (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone

(3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone (PubChem CID 145418210) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone
PubChem CID145418210
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CN(CCCF)C1
InChIInChI=1S/C13H14F3NO/c14-2-1-3-17-7-10(8-17)13(18)9-4-11(15)6-12(16)5-9/h4-6,10H,1-3,7-8H2
InChIKeyMBMSFWJWLWUDCQ-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(3,5-difluorophenyl)methanone
CID 116592503
cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(3,5-difluorophenyl)-(oxan-4-yl)methanone
CID 63936069
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809
[(3R,5R)-1-(2-aminoethyl)-5-benzoylpiperidin-3-yl]-phenylmethanone
CID 69173427
1-(3-fluoropropyl)azetidin-3-amine
CID 81113645
(1-butylazetidin-3-yl)-[4-[(1R,3R)-2-(2,3-difluoropropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]methanone
CID 145418277
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
bis(3,5-difluorophenyl)methanone
CID 2760569
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
6-[4-[3-(3,5-difluorophenyl)-3-oxopropyl]piperidin-1-yl]-2,2-dimethylhexan-3-one
CID 153255107

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone (CID 145418210) is (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone is O=C(c1cc(F)cc(F)c1)C1CN(CCCF)C1.
What is the InChIKey of (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone?
The InChIKey is MBMSFWJWLWUDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-2-1-3-17-7-10(8-17)13(18)9-4-11(15)6-12(16)5-9/h4-6,10H,1-3,7-8H2.
What are the key properties of (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone?
(3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone has a molecular weight of 257.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[1-(3-fluoropropyl)azetidin-3-yl]methanone is sourced from PubChem (CID 145418210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).