(3,3-difluoro-1-formylcyclopentyl) carbamate

C7H9F2NO3 — CID 175173267

IUPAC(3,3-difluoro-1-formylcyclopentyl) carbamate
SMILESNC(=O)OC1(C=O)CCC(F)(F)C1
InChIInChI=1S/C7H9F2NO3/c8-7(9)2-1-6(3-7,4-11)13-5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyJMUDVGOIIZBJRQ-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.84
Rot. Bonds2

About (3,3-difluoro-1-formylcyclopentyl) carbamate

(3,3-difluoro-1-formylcyclopentyl) carbamate (PubChem CID 175173267) has the molecular formula C7H9F2NO3 and a molecular weight of 193.15 g/mol. Its IUPAC name is (3,3-difluoro-1-formylcyclopentyl) carbamate.

Molecular Properties

Compound Name(3,3-difluoro-1-formylcyclopentyl) carbamate
PubChem CID175173267
Molecular FormulaC7H9F2NO3
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name(3,3-difluoro-1-formylcyclopentyl) carbamate
SMILESNC(=O)OC1(C=O)CCC(F)(F)C1
InChIInChI=1S/C7H9F2NO3/c8-7(9)2-1-6(3-7,4-11)13-5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyJMUDVGOIIZBJRQ-UHFFFAOYSA-N
XLogP0.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-formylcyclopentyl) carbamate?
The IUPAC name of (3,3-difluoro-1-formylcyclopentyl) carbamate (CID 175173267) is (3,3-difluoro-1-formylcyclopentyl) carbamate.
What is the SMILES notation for (3,3-difluoro-1-formylcyclopentyl) carbamate?
The canonical SMILES for (3,3-difluoro-1-formylcyclopentyl) carbamate is NC(=O)OC1(C=O)CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-formylcyclopentyl) carbamate?
The InChIKey is JMUDVGOIIZBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3/c8-7(9)2-1-6(3-7,4-11)13-5(10)12/h4H,1-3H2,(H2,10,12).
What are the key properties of (3,3-difluoro-1-formylcyclopentyl) carbamate?
(3,3-difluoro-1-formylcyclopentyl) carbamate has a molecular weight of 193.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-formylcyclopentyl) carbamate is sourced from PubChem (CID 175173267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).