4,4-difluoro-5-methylazepane;hydrochloride

C7H14ClF2N — CID 118798550

IUPAC4,4-difluoro-5-methylazepane;hydrochloride
SMILESCC1CCNCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-6-2-4-10-5-3-7(6,8)9;/h6,10H,2-5H2,1H3;1H
InChIKeyOUDRDAHGUYXQEW-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.06
Rot. Bonds

About 4,4-difluoro-5-methylazepane;hydrochloride

4,4-difluoro-5-methylazepane;hydrochloride (PubChem CID 118798550) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is 4,4-difluoro-5-methylazepane;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-5-methylazepane;hydrochloride
PubChem CID118798550
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name4,4-difluoro-5-methylazepane;hydrochloride
SMILESCC1CCNCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-6-2-4-10-5-3-7(6,8)9;/h6,10H,2-5H2,1H3;1H
InChIKeyOUDRDAHGUYXQEW-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-methylazepane;hydrochloride?
The IUPAC name of 4,4-difluoro-5-methylazepane;hydrochloride (CID 118798550) is 4,4-difluoro-5-methylazepane;hydrochloride.
What is the SMILES notation for 4,4-difluoro-5-methylazepane;hydrochloride?
The canonical SMILES for 4,4-difluoro-5-methylazepane;hydrochloride is CC1CCNCCC1(F)F.Cl.
What is the InChIKey of 4,4-difluoro-5-methylazepane;hydrochloride?
The InChIKey is OUDRDAHGUYXQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-6-2-4-10-5-3-7(6,8)9;/h6,10H,2-5H2,1H3;1H.
What are the key properties of 4,4-difluoro-5-methylazepane;hydrochloride?
4,4-difluoro-5-methylazepane;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-methylazepane;hydrochloride is sourced from PubChem (CID 118798550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).