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

C5H8F3NO — CID 178200326

IUPAC[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol
SMILESN[C@]1(CO)C[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-1-4(3,9)2-10/h3,10H,1-2,9H2/t3-,4+/m1/s1
InChIKeyROACTWGIQHYKNS-DMTCNVIQSA-N
MW155.12 g/mol
LogP0.26
Rot. Bonds1

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

[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 178200326) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol
PubChem CID178200326
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol
SMILESN[C@]1(CO)C[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-1-4(3,9)2-10/h3,10H,1-2,9H2/t3-,4+/m1/s1
InChIKeyROACTWGIQHYKNS-DMTCNVIQSA-N
XLogP0.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.26
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?
The IUPAC name of [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol (CID 178200326) is [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol is N[C@]1(CO)C[C@H]1C(F)(F)F.
What is the InChIKey of [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is ROACTWGIQHYKNS-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)3-1-4(3,9)2-10/h3,10H,1-2,9H2/t3-,4+/m1/s1.
What are the key properties of [(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol?
[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol has a molecular weight of 155.12 g/mol, XLogP of 0.26, 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 is sourced from PubChem (CID 178200326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).