2,2-difluorobutan-1-amine;hydrochloride

C4H10ClF2N — CID 71755557

IUPAC2,2-difluorobutan-1-amine;hydrochloride
SMILESCCC(F)(F)CN.Cl
InChIInChI=1S/C4H9F2N.ClH/c1-2-4(5,6)3-7;/h2-3,7H2,1H3;1H
InChIKeyVKQSCJGLPNANAW-UHFFFAOYSA-N
MW145.58 g/mol
LogP1.41
Rot. Bonds2

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

2,2-difluorobutan-1-amine;hydrochloride (PubChem CID 71755557) has the molecular formula C4H10ClF2N and a molecular weight of 145.58 g/mol. Its IUPAC name is 2,2-difluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluorobutan-1-amine;hydrochloride
PubChem CID71755557
Molecular FormulaC4H10ClF2N
Molecular Weight145.58 g/mol
Exact Mass145.05
IUPAC Name2,2-difluorobutan-1-amine;hydrochloride
SMILESCCC(F)(F)CN.Cl
InChIInChI=1S/C4H9F2N.ClH/c1-2-4(5,6)3-7;/h2-3,7H2,1H3;1H
InChIKeyVKQSCJGLPNANAW-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.58
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutan-1-amine;hydrochloride?
The IUPAC name of 2,2-difluorobutan-1-amine;hydrochloride (CID 71755557) is 2,2-difluorobutan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluorobutan-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluorobutan-1-amine;hydrochloride is CCC(F)(F)CN.Cl.
What is the InChIKey of 2,2-difluorobutan-1-amine;hydrochloride?
The InChIKey is VKQSCJGLPNANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N.ClH/c1-2-4(5,6)3-7;/h2-3,7H2,1H3;1H.
What are the key properties of 2,2-difluorobutan-1-amine;hydrochloride?
2,2-difluorobutan-1-amine;hydrochloride has a molecular weight of 145.58 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 71755557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).