(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride

C5H11ClF3NO — CID 139026390

IUPAC(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
SMILESCC[C@@H](N)COC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-2-4(9)3-10-5(6,7)8;/h4H,2-3,9H2,1H3;1H/t4-;/m1./s1
InChIKeyNLOODZLEUWPYDA-PGMHMLKASA-N
MW193.60 g/mol
LogP1.68
Rot. Bonds3

About (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride

(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride (PubChem CID 139026390) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
PubChem CID139026390
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
SMILESCC[C@@H](N)COC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-2-4(9)3-10-5(6,7)8;/h4H,2-3,9H2,1H3;1H/t4-;/m1./s1
InChIKeyNLOODZLEUWPYDA-PGMHMLKASA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
CID 172681009
3-methyl-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139327187
(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine
CID 146160519
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876
1-(2-methoxybutan-2-yloxy)butan-2-amine
CID 137419185
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
pentan-3-amine;hydroiodide
CID 173436389
2-aminobutyl nitrite
CID 87072378
2-aminobutyl hypochlorite;N,N-dimethylmethanamine
CID 88777297
1,1,2-trifluoro-3-(trifluoromethoxy)propane
CID 19063472
1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride
CID 170889418

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride (CID 139026390) is (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride is CC[C@@H](N)COC(F)(F)F.Cl.
What is the InChIKey of (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride?
The InChIKey is NLOODZLEUWPYDA-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-2-4(9)3-10-5(6,7)8;/h4H,2-3,9H2,1H3;1H/t4-;/m1./s1.
What are the key properties of (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride?
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride is sourced from PubChem (CID 139026390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).