4,4-difluorobutan-1-amine;hydrochloride

C4H10ClF2N — CID 2758267

IUPAC4,4-difluorobutan-1-amine;hydrochloride
SMILESCl.NCCCC(F)F
InChIInChI=1S/C4H9F2N.ClH/c5-4(6)2-1-3-7;/h4H,1-3,7H2;1H
InChIKeyBJGZOJBAVJHKSF-UHFFFAOYSA-N
MW145.58 g/mol
LogP1.41
Rot. Bonds3

About 4,4-difluorobutan-1-amine;hydrochloride

4,4-difluorobutan-1-amine;hydrochloride (PubChem CID 2758267) has the molecular formula C4H10ClF2N and a molecular weight of 145.58 g/mol. Its IUPAC name is 4,4-difluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluorobutan-1-amine;hydrochloride
PubChem CID2758267
Molecular FormulaC4H10ClF2N
Molecular Weight145.58 g/mol
Exact Mass145.05
IUPAC Name4,4-difluorobutan-1-amine;hydrochloride
SMILESCl.NCCCC(F)F
InChIInChI=1S/C4H9F2N.ClH/c5-4(6)2-1-3-7;/h4H,1-3,7H2;1H
InChIKeyBJGZOJBAVJHKSF-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4,4-difluorobutan-1-amine;hydrochloride?
The IUPAC name of 4,4-difluorobutan-1-amine;hydrochloride (CID 2758267) is 4,4-difluorobutan-1-amine;hydrochloride.
What is the SMILES notation for 4,4-difluorobutan-1-amine;hydrochloride?
The canonical SMILES for 4,4-difluorobutan-1-amine;hydrochloride is Cl.NCCCC(F)F.
What is the InChIKey of 4,4-difluorobutan-1-amine;hydrochloride?
The InChIKey is BJGZOJBAVJHKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N.ClH/c5-4(6)2-1-3-7;/h4H,1-3,7H2;1H.
What are the key properties of 4,4-difluorobutan-1-amine;hydrochloride?
4,4-difluorobutan-1-amine;hydrochloride has a molecular weight of 145.58 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 2758267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).