(4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate

C13H14F2N2O3 — CID 89018593

IUPAC(4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate
SMILESO=Nc1ccc(OC(=O)NC2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H14F2N2O3/c14-13(15)7-5-9(6-8-13)16-12(18)20-11-3-1-10(17-19)2-4-11/h1-4,9H,5-8H2,(H,16,18)
InChIKeyWCKDUYCSEFXNBB-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.75
Rot. Bonds3

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

(4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate (PubChem CID 89018593) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate.

Molecular Properties

Compound Name(4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate
PubChem CID89018593
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name(4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate
SMILESO=Nc1ccc(OC(=O)NC2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H14F2N2O3/c14-13(15)7-5-9(6-8-13)16-12(18)20-11-3-1-10(17-19)2-4-11/h1-4,9H,5-8H2,(H,16,18)
InChIKeyWCKDUYCSEFXNBB-UHFFFAOYSA-N
XLogP3.75
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-nitrosophenyl) 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

Related Compounds

(4-isothiocyanatophenyl) N-cyclohexylcarbamate
CID 21489003
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-cyclopentylcarbamate
CID 12791466
phenyl N-cyclooctylcarbamate
CID 60636968
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
phenyl N-(oxan-4-yl)carbamate
CID 61067434
5-[4-(2-aminoethyl)phenoxy]-N-(4,4-difluorocyclohexyl)-2-fluorobenzamide
CID 172670767
N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
CID 121194076
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081
N-(4,4-difluorocyclohexyl)butanamide
CID 131166223
[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate
CID 165343962
tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
CID 127548323

Frequently Asked Questions

What is the IUPAC name of (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate?
The IUPAC name of (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate (CID 89018593) is (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate.
What is the SMILES notation for (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate?
The canonical SMILES for (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate is O=Nc1ccc(OC(=O)NC2CCC(F)(F)CC2)cc1.
What is the InChIKey of (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate?
The InChIKey is WCKDUYCSEFXNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-13(15)7-5-9(6-8-13)16-12(18)20-11-3-1-10(17-19)2-4-11/h1-4,9H,5-8H2,(H,16,18).
What are the key properties of (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate?
(4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate has a molecular weight of 284.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrosophenyl) N-(4,4-difluorocyclohexyl)carbamate is sourced from PubChem (CID 89018593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).