(4,4-difluorocyclohexyl)methyl N-ethylcarbamate

C10H17F2NO2 — CID 167229449

IUPAC(4,4-difluorocyclohexyl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO2/c1-2-13-9(14)15-7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyNWFKFKOGXSDSKH-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.56
Rot. Bonds3

About (4,4-difluorocyclohexyl)methyl N-ethylcarbamate

(4,4-difluorocyclohexyl)methyl N-ethylcarbamate (PubChem CID 167229449) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methyl N-ethylcarbamate.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methyl N-ethylcarbamate
PubChem CID167229449
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(4,4-difluorocyclohexyl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO2/c1-2-13-9(14)15-7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyNWFKFKOGXSDSKH-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)methyl N-ethylcarbamate?
The IUPAC name of (4,4-difluorocyclohexyl)methyl N-ethylcarbamate (CID 167229449) is (4,4-difluorocyclohexyl)methyl N-ethylcarbamate.
What is the SMILES notation for (4,4-difluorocyclohexyl)methyl N-ethylcarbamate?
The canonical SMILES for (4,4-difluorocyclohexyl)methyl N-ethylcarbamate is CCNC(=O)OCC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)methyl N-ethylcarbamate?
The InChIKey is NWFKFKOGXSDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-13-9(14)15-7-8-3-5-10(11,12)6-4-8/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of (4,4-difluorocyclohexyl)methyl N-ethylcarbamate?
(4,4-difluorocyclohexyl)methyl N-ethylcarbamate has a molecular weight of 221.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)methyl N-ethylcarbamate is sourced from PubChem (CID 167229449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).