N-(2,5-difluorophenyl)oxepan-4-amine

C12H15F2NO — CID 65076714

IUPACN-(2,5-difluorophenyl)oxepan-4-amine
SMILESFc1ccc(F)c(NC2CCCOCC2)c1
InChIInChI=1S/C12H15F2NO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyXUIGJPAQHKUMES-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.95
Rot. Bonds2

About N-(2,5-difluorophenyl)oxepan-4-amine

N-(2,5-difluorophenyl)oxepan-4-amine (PubChem CID 65076714) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)oxepan-4-amine
PubChem CID65076714
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-(2,5-difluorophenyl)oxepan-4-amine
SMILESFc1ccc(F)c(NC2CCCOCC2)c1
InChIInChI=1S/C12H15F2NO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyXUIGJPAQHKUMES-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
N-(2,6-difluorophenyl)oxepan-4-amine
CID 65077164
N-(2,3,5,6-tetrafluorophenyl)oxepan-4-amine
CID 107644116
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
N-(5-bromo-4-fluoro-2-methylphenyl)oxepan-4-amine
CID 103271856
2-fluoro-5-(oxepan-4-ylamino)benzonitrile
CID 65079147
2-bromo-N-cyclobutyl-5-fluoroaniline
CID 107633201
2-fluoro-5-(oxepan-4-ylamino)benzamide
CID 65082139
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
2,5-difluoro-N-(4-phenylcyclohexyl)aniline
CID 29275617
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)oxepan-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)oxepan-4-amine (CID 65076714) is N-(2,5-difluorophenyl)oxepan-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)oxepan-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)oxepan-4-amine is Fc1ccc(F)c(NC2CCCOCC2)c1.
What is the InChIKey of N-(2,5-difluorophenyl)oxepan-4-amine?
The InChIKey is XUIGJPAQHKUMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2.
What are the key properties of N-(2,5-difluorophenyl)oxepan-4-amine?
N-(2,5-difluorophenyl)oxepan-4-amine has a molecular weight of 227.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)oxepan-4-amine is sourced from PubChem (CID 65076714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).