(2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride

C6H13ClF3N — CID 135355035

IUPAC(2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride
SMILESCC(C)C[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-4(2)3-5(10)6(7,8)9;/h4-5H,3,10H2,1-2H3;1H/t5-;/m1./s1
InChIKeyNZDUKJWTICUELS-NUBCRITNSA-N
MW191.62 g/mol
LogP2.34
Rot. Bonds2

About (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride

(2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride (PubChem CID 135355035) has the molecular formula C6H13ClF3N and a molecular weight of 191.62 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride
PubChem CID135355035
Molecular FormulaC6H13ClF3N
Molecular Weight191.62 g/mol
Exact Mass191.07
IUPAC Name(2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride
SMILESCC(C)C[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-4(2)3-5(10)6(7,8)9;/h4-5H,3,10H2,1-2H3;1H/t5-;/m1./s1
InChIKeyNZDUKJWTICUELS-NUBCRITNSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride?
The IUPAC name of (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride (CID 135355035) is (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride is CC(C)C[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride?
The InChIKey is NZDUKJWTICUELS-NUBCRITNSA-N. The full InChI is InChI=1S/C6H12F3N.ClH/c1-4(2)3-5(10)6(7,8)9;/h4-5H,3,10H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride?
(2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-4-methylpentan-2-amine;hydrochloride is sourced from PubChem (CID 135355035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).