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

C5H11ClF3N — CID 12004108

IUPAC(2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride
SMILESC[C@@H](CN)CC(F)(F)F.Cl
InChIInChI=1S/C5H10F3N.ClH/c1-4(3-9)2-5(6,7)8;/h4H,2-3,9H2,1H3;1H/t4-;/m1./s1
InChIKeyPKZZMNUWBBIRHO-PGMHMLKASA-N
MW177.60 g/mol
LogP1.96
Rot. Bonds2

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

(2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride (PubChem CID 12004108) has the molecular formula C5H11ClF3N and a molecular weight of 177.60 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride
PubChem CID12004108
Molecular FormulaC5H11ClF3N
Molecular Weight177.60 g/mol
Exact Mass177.05
IUPAC Name(2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride
SMILESC[C@@H](CN)CC(F)(F)F.Cl
InChIInChI=1S/C5H10F3N.ClH/c1-4(3-9)2-5(6,7)8;/h4H,2-3,9H2,1H3;1H/t4-;/m1./s1
InChIKeyPKZZMNUWBBIRHO-PGMHMLKASA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.60
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride (CID 12004108) is (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride is C[C@@H](CN)CC(F)(F)F.Cl.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride?
The InChIKey is PKZZMNUWBBIRHO-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10F3N.ClH/c1-4(3-9)2-5(6,7)8;/h4H,2-3,9H2,1H3;1H/t4-;/m1./s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride?
(2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride has a molecular weight of 177.60 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 12004108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).