[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine

C14H19F2NO — CID 116992958

IUPAC[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine
SMILESCCCC(F)(F)c1cccc(C2(CN)COC2)c1
InChIInChI=1S/C14H19F2NO/c1-2-6-14(15,16)12-5-3-4-11(7-12)13(8-17)9-18-10-13/h3-5,7H,2,6,8-10,17H2,1H3
InChIKeyWIHGWLQDWWYVNZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.81
Rot. Bonds5

About [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine

[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine (PubChem CID 116992958) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine
PubChem CID116992958
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine
SMILESCCCC(F)(F)c1cccc(C2(CN)COC2)c1
InChIInChI=1S/C14H19F2NO/c1-2-6-14(15,16)12-5-3-4-11(7-12)13(8-17)9-18-10-13/h3-5,7H,2,6,8-10,17H2,1H3
InChIKeyWIHGWLQDWWYVNZ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]oxan-3-yl]methanamine
CID 83825736
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
1-[3-(1,1-difluorobutyl)phenyl]cyclobutane-1-carbonitrile
CID 116992950
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
[3-(4-propylphenyl)oxetan-3-yl]methanamine
CID 116829594
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
CID 119772788
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
2-amino-5-[3-(aminomethyl)oxetan-3-yl]benzenethiol
CID 116994287
(3-pyridin-4-yloxetan-3-yl)methanamine
CID 83480468
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine (CID 116992958) is [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine is CCCC(F)(F)c1cccc(C2(CN)COC2)c1.
What is the InChIKey of [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine?
The InChIKey is WIHGWLQDWWYVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-6-14(15,16)12-5-3-4-11(7-12)13(8-17)9-18-10-13/h3-5,7H,2,6,8-10,17H2,1H3.
What are the key properties of [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine?
[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116992958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).