(2R)-1,1,1-trifluorobutan-2-amine;hydrochloride

C4H9ClF3N — CID 44889673

IUPAC(2R)-1,1,1-trifluorobutan-2-amine;hydrochloride
SMILESCC[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3N.ClH/c1-2-3(8)4(5,6)7;/h3H,2,8H2,1H3;1H/t3-;/m1./s1
InChIKeyBPUMYAARUOVRFP-AENDTGMFSA-N
MW163.57 g/mol
LogP1.71
Rot. Bonds1

About (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride

(2R)-1,1,1-trifluorobutan-2-amine;hydrochloride (PubChem CID 44889673) has the molecular formula C4H9ClF3N and a molecular weight of 163.57 g/mol. Its IUPAC name is (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1,1,1-trifluorobutan-2-amine;hydrochloride
PubChem CID44889673
Molecular FormulaC4H9ClF3N
Molecular Weight163.57 g/mol
Exact Mass163.04
IUPAC Name(2R)-1,1,1-trifluorobutan-2-amine;hydrochloride
SMILESCC[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3N.ClH/c1-2-3(8)4(5,6)7;/h3H,2,8H2,1H3;1H/t3-;/m1./s1
InChIKeyBPUMYAARUOVRFP-AENDTGMFSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.57
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The IUPAC name of (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride (CID 44889673) is (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride is CC[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The InChIKey is BPUMYAARUOVRFP-AENDTGMFSA-N. The full InChI is InChI=1S/C4H8F3N.ClH/c1-2-3(8)4(5,6)7;/h3H,2,8H2,1H3;1H/t3-;/m1./s1.
What are the key properties of (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride?
(2R)-1,1,1-trifluorobutan-2-amine;hydrochloride has a molecular weight of 163.57 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride is sourced from PubChem (CID 44889673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).