[1-amino-2-(difluoromethyl)cyclopropyl]methanol

C5H9F2NO — CID 170602819

IUPAC[1-amino-2-(difluoromethyl)cyclopropyl]methanol
SMILESNC1(CO)CC1C(F)F
InChIInChI=1S/C5H9F2NO/c6-4(7)3-1-5(3,8)2-9/h3-4,9H,1-2,8H2
InChIKeyFTSJPFQFGICNBY-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.04
Rot. Bonds2

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

[1-amino-2-(difluoromethyl)cyclopropyl]methanol (PubChem CID 170602819) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is [1-amino-2-(difluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-amino-2-(difluoromethyl)cyclopropyl]methanol
PubChem CID170602819
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name[1-amino-2-(difluoromethyl)cyclopropyl]methanol
SMILESNC1(CO)CC1C(F)F
InChIInChI=1S/C5H9F2NO/c6-4(7)3-1-5(3,8)2-9/h3-4,9H,1-2,8H2
InChIKeyFTSJPFQFGICNBY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(difluoromethyl)cyclopropyl]methanol?
The IUPAC name of [1-amino-2-(difluoromethyl)cyclopropyl]methanol (CID 170602819) is [1-amino-2-(difluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [1-amino-2-(difluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [1-amino-2-(difluoromethyl)cyclopropyl]methanol is NC1(CO)CC1C(F)F.
What is the InChIKey of [1-amino-2-(difluoromethyl)cyclopropyl]methanol?
The InChIKey is FTSJPFQFGICNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-4(7)3-1-5(3,8)2-9/h3-4,9H,1-2,8H2.
What are the key properties of [1-amino-2-(difluoromethyl)cyclopropyl]methanol?
[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 [1-amino-2-(difluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 170602819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).