1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea

C14H16F4N2O — CID 24651175

IUPAC1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F4N2O/c15-10-3-7-12(8-4-10)20-13(21)19-11-5-1-9(2-6-11)14(16,17)18/h3-4,7-9,11H,1-2,5-6H2,(H2,19,20,21)
InChIKeyKTQPJWOLTOHIEN-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.07
Rot. Bonds2

About 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea

1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 24651175) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID24651175
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F4N2O/c15-10-3-7-12(8-4-10)20-13(21)19-11-5-1-9(2-6-11)14(16,17)18/h3-4,7-9,11H,1-2,5-6H2,(H2,19,20,21)
InChIKeyKTQPJWOLTOHIEN-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651183
1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea
CID 82794523
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664740
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
CID 52559092
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)urea
CID 7236834
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
CID 174569625
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 24651175) is 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea is O=C(Nc1ccc(F)cc1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is KTQPJWOLTOHIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-10-3-7-12(8-4-10)20-13(21)19-11-5-1-9(2-6-11)14(16,17)18/h3-4,7-9,11H,1-2,5-6H2,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 304.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 24651175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).