2,2-difluorohexan-1-amine;hydrochloride

C6H14ClF2N — CID 170915601

IUPAC2,2-difluorohexan-1-amine;hydrochloride
SMILESCCCCC(F)(F)CN.Cl
InChIInChI=1S/C6H13F2N.ClH/c1-2-3-4-6(7,8)5-9;/h2-5,9H2,1H3;1H
InChIKeyKUVMXAPMVVGLOK-UHFFFAOYSA-N
MW173.63 g/mol
LogP2.19
Rot. Bonds4

About 2,2-difluorohexan-1-amine;hydrochloride

2,2-difluorohexan-1-amine;hydrochloride (PubChem CID 170915601) has the molecular formula C6H14ClF2N and a molecular weight of 173.63 g/mol. Its IUPAC name is 2,2-difluorohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluorohexan-1-amine;hydrochloride
PubChem CID170915601
Molecular FormulaC6H14ClF2N
Molecular Weight173.63 g/mol
Exact Mass173.08
IUPAC Name2,2-difluorohexan-1-amine;hydrochloride
SMILESCCCCC(F)(F)CN.Cl
InChIInChI=1S/C6H13F2N.ClH/c1-2-3-4-6(7,8)5-9;/h2-5,9H2,1H3;1H
InChIKeyKUVMXAPMVVGLOK-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluorohexan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H,1H-Undecafluorohexylamine
CID 21923864
2,2-Difluorobutan-1-amine hydrochloride
CID 71755557
3,3-Difluorobutan-1-amine hydrochloride
CID 84716328
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediamine
CID 2779375
2,2,3,3,4,4-Hexafluoropentane-1,5-diamine--hydrogen chloride (1/1)
CID 54599144
5,5,5-Trifluoropentan-1-amine hydrochloride
CID 138039756
5,5-Difluoropentan-1-amine
CID 14407044
6,6-Difluorohexan-1-amine
CID 14407045
6,6,6-Trifluoro-hexylamine
CID 14407047
5,5,5-Trifluoropentan-1-amine
CID 14952374
1,1-Difluorohexan-2-amine
CID 20521929
1-Fluorohexan-1-amine
CID 21611662

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorohexan-1-amine;hydrochloride?
The IUPAC name of 2,2-difluorohexan-1-amine;hydrochloride (CID 170915601) is 2,2-difluorohexan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluorohexan-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluorohexan-1-amine;hydrochloride is CCCCC(F)(F)CN.Cl.
What is the InChIKey of 2,2-difluorohexan-1-amine;hydrochloride?
The InChIKey is KUVMXAPMVVGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N.ClH/c1-2-3-4-6(7,8)5-9;/h2-5,9H2,1H3;1H.
What are the key properties of 2,2-difluorohexan-1-amine;hydrochloride?
2,2-difluorohexan-1-amine;hydrochloride has a molecular weight of 173.63 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorohexan-1-amine;hydrochloride is sourced from PubChem (CID 170915601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).