2-cyclobutyl-3,3-difluoroazepine

C10H11F2N — CID 175212820

IUPAC2-cyclobutyl-3,3-difluoroazepine
SMILESFC1(F)C=CC=CN=C1C1CCC1
InChIInChI=1S/C10H11F2N/c11-10(12)6-1-2-7-13-9(10)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyRDYKMZIQSQXERM-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.95
Rot. Bonds1

About 2-cyclobutyl-3,3-difluoroazepine

2-cyclobutyl-3,3-difluoroazepine (PubChem CID 175212820) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 2-cyclobutyl-3,3-difluoroazepine.

Molecular Properties

Compound Name2-cyclobutyl-3,3-difluoroazepine
PubChem CID175212820
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name2-cyclobutyl-3,3-difluoroazepine
SMILESFC1(F)C=CC=CN=C1C1CCC1
InChIInChI=1S/C10H11F2N/c11-10(12)6-1-2-7-13-9(10)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyRDYKMZIQSQXERM-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole
CID 151583537
6-(trifluoromethyl)-6,7-dihydro-5H-indole
CID 153975006
2-ethyl-3-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 163622753
2-Cyclobutyl-3,3-difluoroazepine;hydrochloride
CID 175212819

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3,3-difluoroazepine?
The IUPAC name of 2-cyclobutyl-3,3-difluoroazepine (CID 175212820) is 2-cyclobutyl-3,3-difluoroazepine.
What is the SMILES notation for 2-cyclobutyl-3,3-difluoroazepine?
The canonical SMILES for 2-cyclobutyl-3,3-difluoroazepine is FC1(F)C=CC=CN=C1C1CCC1.
What is the InChIKey of 2-cyclobutyl-3,3-difluoroazepine?
The InChIKey is RDYKMZIQSQXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-10(12)6-1-2-7-13-9(10)8-4-3-5-8/h1-2,6-8H,3-5H2.
What are the key properties of 2-cyclobutyl-3,3-difluoroazepine?
2-cyclobutyl-3,3-difluoroazepine has a molecular weight of 183.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3,3-difluoroazepine is sourced from PubChem (CID 175212820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).