(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride

C6H11ClF3NO — CID 171401108

IUPAC(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride
SMILESCl.N[C@@H](COC1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)3-11-4-1-2-4;/h4-5H,1-3,10H2;1H/t5-;/m0./s1
InChIKeyGSCDKLOETTXUTC-JEDNCBNOSA-N
MW205.61 g/mol
LogP1.48
Rot. Bonds3

About (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride

(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride (PubChem CID 171401108) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride
PubChem CID171401108
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride
SMILESCl.N[C@@H](COC1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)3-11-4-1-2-4;/h4-5H,1-3,10H2;1H/t5-;/m0./s1
InChIKeyGSCDKLOETTXUTC-JEDNCBNOSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride?
The IUPAC name of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride (CID 171401108) is (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride is Cl.N[C@@H](COC1CC1)C(F)(F)F.
What is the InChIKey of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride?
The InChIKey is GSCDKLOETTXUTC-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)3-11-4-1-2-4;/h4-5H,1-3,10H2;1H/t5-;/m0./s1.
What are the key properties of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride?
(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride is sourced from PubChem (CID 171401108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).