[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride

C5H9ClF3NO — CID 178200325

IUPAC[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride
SMILESCl.N[C@]1(CO)C[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-4(3,9)2-10;/h3,10H,1-2,9H2;1H/t3-,4+;/m1./s1
InChIKeyDZDPFNIOKMESJC-HJXLNUONSA-N
MW191.58 g/mol
LogP0.68
Rot. Bonds1

About [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride

[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride (PubChem CID 178200325) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride
PubChem CID178200325
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride
SMILESCl.N[C@]1(CO)C[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-4(3,9)2-10;/h3,10H,1-2,9H2;1H/t3-,4+;/m1./s1
InChIKeyDZDPFNIOKMESJC-HJXLNUONSA-N
XLogP0.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride?
The IUPAC name of [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride (CID 178200325) is [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride.
What is the SMILES notation for [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride?
The canonical SMILES for [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride is Cl.N[C@]1(CO)C[C@H]1C(F)(F)F.
What is the InChIKey of [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride?
The InChIKey is DZDPFNIOKMESJC-HJXLNUONSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-4(3,9)2-10;/h3,10H,1-2,9H2;1H/t3-,4+;/m1./s1.
What are the key properties of [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride?
[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride is sourced from PubChem (CID 178200325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).