3-fluoroazepane;hydrochloride

C6H13ClFN — CID 71758276

IUPAC3-fluoroazepane;hydrochloride
SMILESCl.FC1CCCCNC1
InChIInChI=1S/C6H12FN.ClH/c7-6-3-1-2-4-8-5-6;/h6,8H,1-5H2;1H
InChIKeyBXZOIGGEBUEIIX-UHFFFAOYSA-N
MW153.63 g/mol
LogP1.52
Rot. Bonds

About 3-fluoroazepane;hydrochloride

3-fluoroazepane;hydrochloride (PubChem CID 71758276) has the molecular formula C6H13ClFN and a molecular weight of 153.63 g/mol. Its IUPAC name is 3-fluoroazepane;hydrochloride.

Molecular Properties

Compound Name3-fluoroazepane;hydrochloride
PubChem CID71758276
Molecular FormulaC6H13ClFN
Molecular Weight153.63 g/mol
Exact Mass153.07
IUPAC Name3-fluoroazepane;hydrochloride
SMILESCl.FC1CCCCNC1
InChIInChI=1S/C6H12FN.ClH/c7-6-3-1-2-4-8-5-6;/h6,8H,1-5H2;1H
InChIKeyBXZOIGGEBUEIIX-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Azepane
CID 8119
4,4-Difluoroazepane hydrochloride
CID 56924311
1H-Azepine, hexahydro-, hydrochloride
CID 11971665
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
Azepan-1-ium iodide
CID 161664118
3-Fluoroazepane
CID 47003592
(3R)-3-Fluoroazepane
CID 52271522
(3S)-3-Fluoroazepane
CID 52271524
4-Fluoro-hexahydro-1H-azepine
CID 52911246

Frequently Asked Questions

What is the IUPAC name of 3-fluoroazepane;hydrochloride?
The IUPAC name of 3-fluoroazepane;hydrochloride (CID 71758276) is 3-fluoroazepane;hydrochloride.
What is the SMILES notation for 3-fluoroazepane;hydrochloride?
The canonical SMILES for 3-fluoroazepane;hydrochloride is Cl.FC1CCCCNC1.
What is the InChIKey of 3-fluoroazepane;hydrochloride?
The InChIKey is BXZOIGGEBUEIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN.ClH/c7-6-3-1-2-4-8-5-6;/h6,8H,1-5H2;1H.
What are the key properties of 3-fluoroazepane;hydrochloride?
3-fluoroazepane;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroazepane;hydrochloride is sourced from PubChem (CID 71758276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).