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

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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).