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

C5H9F2NO — CID 175964821

IUPAC[(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol
SMILESN[C@@]1(CO)C[C@H]1C(F)F
InChIInChI=1S/C5H9F2NO/c6-4(7)3-1-5(3,8)2-9/h3-4,9H,1-2,8H2/t3-,5+/m0/s1
InChIKeyFTSJPFQFGICNBY-WVZVXSGGSA-N
MW137.13 g/mol
LogP-0.04
Rot. Bonds2

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

[(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol (PubChem CID 175964821) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol
PubChem CID175964821
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name[(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol
SMILESN[C@@]1(CO)C[C@H]1C(F)F
InChIInChI=1S/C5H9F2NO/c6-4(7)3-1-5(3,8)2-9/h3-4,9H,1-2,8H2/t3-,5+/m0/s1
InChIKeyFTSJPFQFGICNBY-WVZVXSGGSA-N
XLogP-0.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate
CID 175170570
1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
CID 89174595
2-(difluoromethyl)cyclopropane-1,1-dicarboxylic acid
CID 135290190
[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 169131305
1,1,2-tris(difluoromethyl)cyclopropane
CID 174825149
[2-(difluoromethyl)-1-phenylcyclopropyl]methanamine
CID 117273841
(1-amino-2-butylcyclopropyl)methanol
CID 10726049
ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate
CID 134469345
[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
CID 82009909
[(1R)-2,2-difluorocyclopropyl]methanol
CID 7171885
[(2R)-2-fluoro-1-(hydroxymethyl)cyclopropyl]methanol
CID 125117096
(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 61056846

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol?
The IUPAC name of [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol (CID 175964821) is [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol is N[C@@]1(CO)C[C@H]1C(F)F.
What is the InChIKey of [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol?
The InChIKey is FTSJPFQFGICNBY-WVZVXSGGSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-4(7)3-1-5(3,8)2-9/h3-4,9H,1-2,8H2/t3-,5+/m0/s1.
What are the key properties of [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol?
[(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol has a molecular weight of 137.13 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 175964821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).