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

C3H7ClF3N — CID 44593757

IUPAC(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride
SMILESC[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H/t2-;/m1./s1
InChIKeyVLVCERQEOKPRTG-HSHFZTNMSA-N
MW149.54 g/mol
LogP1.32
Rot. Bonds

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

(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride (PubChem CID 44593757) has the molecular formula C3H7ClF3N and a molecular weight of 149.54 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride
PubChem CID44593757
Molecular FormulaC3H7ClF3N
Molecular Weight149.54 g/mol
Exact Mass149.02
IUPAC Name(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride
SMILESC[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H/t2-;/m1./s1
InChIKeyVLVCERQEOKPRTG-HSHFZTNMSA-N
XLogP1.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.54
LogP ≤ 51.32
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-trifluoropropan-2-amine;hydrochloride?
The IUPAC name of (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride (CID 44593757) is (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride is C[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride?
The InChIKey is VLVCERQEOKPRTG-HSHFZTNMSA-N. The full InChI is InChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H/t2-;/m1./s1.
What are the key properties of (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride?
(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride has a molecular weight of 149.54 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride is sourced from PubChem (CID 44593757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).