(2,2-difluorocyclohexyl)urea

C7H12F2N2O — CID 131126356

IUPAC(2,2-difluorocyclohexyl)urea
SMILESNC(=O)NC1CCCCC1(F)F
InChIInChI=1S/C7H12F2N2O/c8-7(9)4-2-1-3-5(7)11-6(10)12/h5H,1-4H2,(H3,10,11,12)
InChIKeyHUILWEVPQIUJPS-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.23
Rot. Bonds1

About (2,2-difluorocyclohexyl)urea

(2,2-difluorocyclohexyl)urea (PubChem CID 131126356) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is (2,2-difluorocyclohexyl)urea.

Molecular Properties

Compound Name(2,2-difluorocyclohexyl)urea
PubChem CID131126356
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name(2,2-difluorocyclohexyl)urea
SMILESNC(=O)NC1CCCCC1(F)F
InChIInChI=1S/C7H12F2N2O/c8-7(9)4-2-1-3-5(7)11-6(10)12/h5H,1-4H2,(H3,10,11,12)
InChIKeyHUILWEVPQIUJPS-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2,2-difluorocyclohexyl)urea 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

(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide
CID 130942417
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
N-[(1S)-2,2-difluorocyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
CID 141395671
N-(2,2-difluorocyclopentyl)-2-hydroxypropanamide
CID 131131943
N-(2,2-difluorocyclopentyl)butanamide
CID 127009453
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
4-bromo-N-(2,2-difluorocyclohexyl)-2-iodo-6-methylbenzamide
CID 129071381
spiro[5.5]undecan-3-ylurea
CID 91662332
1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
CID 131014891
N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine
CID 130987506
cyclobutylurea;ethane
CID 145319429

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclohexyl)urea?
The IUPAC name of (2,2-difluorocyclohexyl)urea (CID 131126356) is (2,2-difluorocyclohexyl)urea.
What is the SMILES notation for (2,2-difluorocyclohexyl)urea?
The canonical SMILES for (2,2-difluorocyclohexyl)urea is NC(=O)NC1CCCCC1(F)F.
What is the InChIKey of (2,2-difluorocyclohexyl)urea?
The InChIKey is HUILWEVPQIUJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c8-7(9)4-2-1-3-5(7)11-6(10)12/h5H,1-4H2,(H3,10,11,12).
What are the key properties of (2,2-difluorocyclohexyl)urea?
(2,2-difluorocyclohexyl)urea has a molecular weight of 178.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclohexyl)urea is sourced from PubChem (CID 131126356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).