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

C3H7ClF3N — CID 13093919

IUPAC(2S)-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-;/m0./s1
InChIKeyVLVCERQEOKPRTG-DKWTVANSSA-N
MW149.54 g/mol
LogP1.32
Rot. Bonds

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

(2S)-1,1,1-trifluoropropan-2-amine;hydrochloride (PubChem CID 13093919) has the molecular formula C3H7ClF3N and a molecular weight of 149.54 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoropropan-2-amine;hydrochloride
PubChem CID13093919
Molecular FormulaC3H7ClF3N
Molecular Weight149.54 g/mol
Exact Mass149.02
IUPAC Name(2S)-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-;/m0./s1
InChIKeyVLVCERQEOKPRTG-DKWTVANSSA-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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Related Compounds

1,1,1-Trifluorobutan-2-amine
CID 3743706
1,1,1-Trifluoro-2-propanamine
CID 3783165
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
(R)-2-Amino-1,1,1-trifluoropropane hydrochloride
CID 44593757
2,2-Difluorocyclopropan-1-amine hydrochloride
CID 20161313
(2R)-1,1,1-Trifluoro-2-propanamine
CID 10964446
(2S)-1-fluoropropan-2-amine hydrochloride
CID 11851333
1,3-Difluoropropan-2-amine
CID 13591654
1,1,1-Trifluorobutan-2-amine hydrochloride
CID 13620730
(2S)-1,1,1-trifluorobutan-2-amine hydrochloride
CID 13620733
1,1,1-Trifluoropentan-3-amine hydrochloride
CID 13620756
(RS)-2-Amino-1,1,1-trifluoropropane hydrochloride
CID 18364314

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride?
The IUPAC name of (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride (CID 13093919) is (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride is C[C@H](N)C(F)(F)F.Cl.
What is the InChIKey of (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride?
The InChIKey is VLVCERQEOKPRTG-DKWTVANSSA-N. The full InChI is InChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H/t2-;/m0./s1.
What are the key properties of (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride?
(2S)-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 (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride is sourced from PubChem (CID 13093919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).