[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate

C6H9F2NO3 — CID 175170570

IUPAC[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate
SMILESNC(=O)OC1(CO)CC1C(F)F
InChIInChI=1S/C6H9F2NO3/c7-4(8)3-1-6(3,2-10)12-5(9)11/h3-4,10H,1-2H2,(H2,9,11)
InChIKeyHSDVZNZADDOQDA-UHFFFAOYSA-N
MW181.14 g/mol
LogP0.10
Rot. Bonds3

About [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate

[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate (PubChem CID 175170570) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate.

Molecular Properties

Compound Name[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate
PubChem CID175170570
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate
SMILESNC(=O)OC1(CO)CC1C(F)F
InChIInChI=1S/C6H9F2NO3/c7-4(8)3-1-6(3,2-10)12-5(9)11/h3-4,10H,1-2H2,(H2,9,11)
InChIKeyHSDVZNZADDOQDA-UHFFFAOYSA-N
XLogP0.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate?
The IUPAC name of [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate (CID 175170570) is [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate.
What is the SMILES notation for [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate?
The canonical SMILES for [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate is NC(=O)OC1(CO)CC1C(F)F.
What is the InChIKey of [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate?
The InChIKey is HSDVZNZADDOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c7-4(8)3-1-6(3,2-10)12-5(9)11/h3-4,10H,1-2H2,(H2,9,11).
What are the key properties of [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate?
[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate has a molecular weight of 181.14 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate is sourced from PubChem (CID 175170570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).