phenyl N-(4,4-difluorocyclohexyl)carbamate

C13H15F2NO2 — CID 118426933

IUPACphenyl N-(4,4-difluorocyclohexyl)carbamate
SMILESO=C(NC1CCC(F)(F)CC1)Oc1ccccc1
InChIInChI=1S/C13H15F2NO2/c14-13(15)8-6-10(7-9-13)16-12(17)18-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,17)
InChIKeyPYMAQIDIKQXMSN-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.35
Rot. Bonds2

About phenyl N-(4,4-difluorocyclohexyl)carbamate

phenyl N-(4,4-difluorocyclohexyl)carbamate (PubChem CID 118426933) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is phenyl N-(4,4-difluorocyclohexyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4,4-difluorocyclohexyl)carbamate
PubChem CID118426933
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Namephenyl N-(4,4-difluorocyclohexyl)carbamate
SMILESO=C(NC1CCC(F)(F)CC1)Oc1ccccc1
InChIInChI=1S/C13H15F2NO2/c14-13(15)8-6-10(7-9-13)16-12(17)18-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,17)
InChIKeyPYMAQIDIKQXMSN-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze phenyl N-(4,4-difluorocyclohexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4,4-difluorocyclohexyl)carbamate?
The IUPAC name of phenyl N-(4,4-difluorocyclohexyl)carbamate (CID 118426933) is phenyl N-(4,4-difluorocyclohexyl)carbamate.
What is the SMILES notation for phenyl N-(4,4-difluorocyclohexyl)carbamate?
The canonical SMILES for phenyl N-(4,4-difluorocyclohexyl)carbamate is O=C(NC1CCC(F)(F)CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-(4,4-difluorocyclohexyl)carbamate?
The InChIKey is PYMAQIDIKQXMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-13(15)8-6-10(7-9-13)16-12(17)18-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,17).
What are the key properties of phenyl N-(4,4-difluorocyclohexyl)carbamate?
phenyl N-(4,4-difluorocyclohexyl)carbamate has a molecular weight of 255.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4,4-difluorocyclohexyl)carbamate is sourced from PubChem (CID 118426933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).