1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile

C14H13F2NO — CID 116874895

IUPAC1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(C2(c3ccc(F)cc3F)COC2)CCC1
InChIInChI=1S/C14H13F2NO/c15-10-2-3-11(12(16)6-10)14(8-18-9-14)13(7-17)4-1-5-13/h2-3,6H,1,4-5,8-9H2
InChIKeySGDCSYUEKITLQV-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.93
Rot. Bonds2

About 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile

1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile (PubChem CID 116874895) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
PubChem CID116874895
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(C2(c3ccc(F)cc3F)COC2)CCC1
InChIInChI=1S/C14H13F2NO/c15-10-2-3-11(12(16)6-10)14(8-18-9-14)13(7-17)4-1-5-13/h2-3,6H,1,4-5,8-9H2
InChIKeySGDCSYUEKITLQV-UHFFFAOYSA-N
XLogP2.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874893
1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
CID 64560794
1-(2,4-difluorophenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842312
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 116532491
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874884
3-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]bicyclo[1.1.1]pentane-1-carbonitrile
CID 171759354
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222
2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile
CID 116873253
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile (CID 116874895) is 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile is N#CC1(C2(c3ccc(F)cc3F)COC2)CCC1.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile?
The InChIKey is SGDCSYUEKITLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-10-2-3-11(12(16)6-10)14(8-18-9-14)13(7-17)4-1-5-13/h2-3,6H,1,4-5,8-9H2.
What are the key properties of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile?
1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile has a molecular weight of 249.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116874895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).