3,3-difluoroazepane

C6H11F2N — CID 67457127

IUPAC3,3-difluoroazepane
SMILESFC1(F)CCCCNC1
InChIInChI=1S/C6H11F2N/c7-6(8)3-1-2-4-9-5-6/h9H,1-5H2
InChIKeyFVWMDLFXICQWEG-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.40
Rot. Bonds

About 3,3-difluoroazepane

3,3-difluoroazepane (PubChem CID 67457127) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 3,3-difluoroazepane.

Molecular Properties

Compound Name3,3-difluoroazepane
PubChem CID67457127
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name3,3-difluoroazepane
SMILESFC1(F)CCCCNC1
InChIInChI=1S/C6H11F2N/c7-6(8)3-1-2-4-9-5-6/h9H,1-5H2
InChIKeyFVWMDLFXICQWEG-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Azepane
CID 8119
1-Pentanamine, N-(2,2,2-trifluoroethyl)-
CID 10012310
4,4-Difluoroazepane hydrochloride
CID 56924311
3-Fluoroazepane hydrochloride
CID 71758276
1H-Azepine, hexahydro-, hydrochloride
CID 11971665
Hexahydro-4-(trifluoromethyl)-1H-azepine
CID 55296065
Azepane--hydrogen bromide (1/1)
CID 70590728
4,4,5-Trifluoroazepane hydrochloride
CID 118798540
2-(Trifluoromethyl)azepane hydrochloride
CID 132300803
3,6-Difluoroazepane
CID 165980417
(4R)-4-(trifluoromethyl)azepane
CID 95003247
Azepan-1-ium iodide
CID 161664118

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazepane?
The IUPAC name of 3,3-difluoroazepane (CID 67457127) is 3,3-difluoroazepane.
What is the SMILES notation for 3,3-difluoroazepane?
The canonical SMILES for 3,3-difluoroazepane is FC1(F)CCCCNC1.
What is the InChIKey of 3,3-difluoroazepane?
The InChIKey is FVWMDLFXICQWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c7-6(8)3-1-2-4-9-5-6/h9H,1-5H2.
What are the key properties of 3,3-difluoroazepane?
3,3-difluoroazepane has a molecular weight of 135.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazepane is sourced from PubChem (CID 67457127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).