(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride

C6H13ClF3N — CID 86659431

IUPAC(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
SMILESC[C@H](N)C(C)(C)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-4(10)5(2,3)6(7,8)9;/h4H,10H2,1-3H3;1H/t4-;/m0./s1
InChIKeySVQDSSSRBJRVDR-WCCKRBBISA-N
MW191.62 g/mol
LogP2.34
Rot. Bonds1

About (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride

(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride (PubChem CID 86659431) has the molecular formula C6H13ClF3N and a molecular weight of 191.62 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
PubChem CID86659431
Molecular FormulaC6H13ClF3N
Molecular Weight191.62 g/mol
Exact Mass191.07
IUPAC Name(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
SMILESC[C@H](N)C(C)(C)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-4(10)5(2,3)6(7,8)9;/h4H,10H2,1-3H3;1H/t4-;/m0./s1
InChIKeySVQDSSSRBJRVDR-WCCKRBBISA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride?
The IUPAC name of (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride (CID 86659431) is (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride?
The canonical SMILES for (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride is C[C@H](N)C(C)(C)C(F)(F)F.Cl.
What is the InChIKey of (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride?
The InChIKey is SVQDSSSRBJRVDR-WCCKRBBISA-N. The full InChI is InChI=1S/C6H12F3N.ClH/c1-4(10)5(2,3)6(7,8)9;/h4H,10H2,1-3H3;1H/t4-;/m0./s1.
What are the key properties of (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride?
(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride is sourced from PubChem (CID 86659431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).