2-amino-4,4-difluoropentan-1-ol;hydrochloride

C5H12ClF2NO — CID 139022762

IUPAC2-amino-4,4-difluoropentan-1-ol;hydrochloride
SMILESCC(F)(F)CC(N)CO.Cl
InChIInChI=1S/C5H11F2NO.ClH/c1-5(6,7)2-4(8)3-9;/h4,9H,2-3,8H2,1H3;1H
InChIKeyCPUIBMRJAIJWDA-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.77
Rot. Bonds3

About 2-amino-4,4-difluoropentan-1-ol;hydrochloride

2-amino-4,4-difluoropentan-1-ol;hydrochloride (PubChem CID 139022762) has the molecular formula C5H12ClF2NO and a molecular weight of 175.61 g/mol. Its IUPAC name is 2-amino-4,4-difluoropentan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-4,4-difluoropentan-1-ol;hydrochloride
PubChem CID139022762
Molecular FormulaC5H12ClF2NO
Molecular Weight175.61 g/mol
Exact Mass175.06
IUPAC Name2-amino-4,4-difluoropentan-1-ol;hydrochloride
SMILESCC(F)(F)CC(N)CO.Cl
InChIInChI=1S/C5H11F2NO.ClH/c1-5(6,7)2-4(8)3-9;/h4,9H,2-3,8H2,1H3;1H
InChIKeyCPUIBMRJAIJWDA-UHFFFAOYSA-N
XLogP0.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoropentan-1-ol;hydrochloride?
The IUPAC name of 2-amino-4,4-difluoropentan-1-ol;hydrochloride (CID 139022762) is 2-amino-4,4-difluoropentan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-4,4-difluoropentan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-4,4-difluoropentan-1-ol;hydrochloride is CC(F)(F)CC(N)CO.Cl.
What is the InChIKey of 2-amino-4,4-difluoropentan-1-ol;hydrochloride?
The InChIKey is CPUIBMRJAIJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO.ClH/c1-5(6,7)2-4(8)3-9;/h4,9H,2-3,8H2,1H3;1H.
What are the key properties of 2-amino-4,4-difluoropentan-1-ol;hydrochloride?
2-amino-4,4-difluoropentan-1-ol;hydrochloride has a molecular weight of 175.61 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoropentan-1-ol;hydrochloride is sourced from PubChem (CID 139022762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).