N-(2,6-difluorophenyl)oxepan-4-amine

C12H15F2NO — CID 65077164

IUPACN-(2,6-difluorophenyl)oxepan-4-amine
SMILESFc1cccc(F)c1NC1CCCOCC1
InChIInChI=1S/C12H15F2NO/c13-10-4-1-5-11(14)12(10)15-9-3-2-7-16-8-6-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyFUIMNMYYKHTSTF-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.95
Rot. Bonds2

About N-(2,6-difluorophenyl)oxepan-4-amine

N-(2,6-difluorophenyl)oxepan-4-amine (PubChem CID 65077164) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)oxepan-4-amine
PubChem CID65077164
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-(2,6-difluorophenyl)oxepan-4-amine
SMILESFc1cccc(F)c1NC1CCCOCC1
InChIInChI=1S/C12H15F2NO/c13-10-4-1-5-11(14)12(10)15-9-3-2-7-16-8-6-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyFUIMNMYYKHTSTF-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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)oxepan-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)oxepan-4-amine (CID 65077164) is N-(2,6-difluorophenyl)oxepan-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)oxepan-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)oxepan-4-amine is Fc1cccc(F)c1NC1CCCOCC1.
What is the InChIKey of N-(2,6-difluorophenyl)oxepan-4-amine?
The InChIKey is FUIMNMYYKHTSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-4-1-5-11(14)12(10)15-9-3-2-7-16-8-6-9/h1,4-5,9,15H,2-3,6-8H2.
What are the key properties of N-(2,6-difluorophenyl)oxepan-4-amine?
N-(2,6-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-(2,6-difluorophenyl)oxepan-4-amine is sourced from PubChem (CID 65077164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).