(3,3-difluorocyclopentyl) N-methylcarbamate

C7H11F2NO2 — CID 118332585

IUPAC(3,3-difluorocyclopentyl) N-methylcarbamate
SMILESCNC(=O)OC1CCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-10-6(11)12-5-2-3-7(8,9)4-5/h5H,2-4H2,1H3,(H,10,11)
InChIKeyMANPQWYYSOOVQC-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.53
Rot. Bonds1

About (3,3-difluorocyclopentyl) N-methylcarbamate

(3,3-difluorocyclopentyl) N-methylcarbamate (PubChem CID 118332585) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl) N-methylcarbamate.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl) N-methylcarbamate
PubChem CID118332585
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(3,3-difluorocyclopentyl) N-methylcarbamate
SMILESCNC(=O)OC1CCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-10-6(11)12-5-2-3-7(8,9)4-5/h5H,2-4H2,1H3,(H,10,11)
InChIKeyMANPQWYYSOOVQC-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl) N-methylcarbamate?
The IUPAC name of (3,3-difluorocyclopentyl) N-methylcarbamate (CID 118332585) is (3,3-difluorocyclopentyl) N-methylcarbamate.
What is the SMILES notation for (3,3-difluorocyclopentyl) N-methylcarbamate?
The canonical SMILES for (3,3-difluorocyclopentyl) N-methylcarbamate is CNC(=O)OC1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl) N-methylcarbamate?
The InChIKey is MANPQWYYSOOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-10-6(11)12-5-2-3-7(8,9)4-5/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of (3,3-difluorocyclopentyl) N-methylcarbamate?
(3,3-difluorocyclopentyl) N-methylcarbamate has a molecular weight of 179.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl) N-methylcarbamate is sourced from PubChem (CID 118332585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).