1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea

C14H16F4N2O — CID 32534093

IUPAC1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1F)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H16F4N2O/c15-11-6-1-2-7-12(11)20-13(21)19-10-5-3-4-9(8-10)14(16,17)18/h1-2,6-7,9-10H,3-5,8H2,(H2,19,20,21)/t9-,10-/m1/s1
InChIKeyZLYUAPIHHSOUAS-NXEZZACHSA-N
MW304.29 g/mol
LogP4.07
Rot. Bonds2

About 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea

1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 32534093) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID32534093
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1F)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H16F4N2O/c15-11-6-1-2-7-12(11)20-13(21)19-10-5-3-4-9(8-10)14(16,17)18/h1-2,6-7,9-10H,3-5,8H2,(H2,19,20,21)/t9-,10-/m1/s1
InChIKeyZLYUAPIHHSOUAS-NXEZZACHSA-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-[(1S)-1-(2-fluorophenyl)ethyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 51724727
1-(5-fluoro-2-pyridinyl)-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 99601286
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 95163272
1-(2-carbamothioyl-3-fluorophenyl)-3-cyclobutylurea
CID 116658288
2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 86920505
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea (CID 32534093) is 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea is O=C(Nc1ccccc1F)N[C@@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is ZLYUAPIHHSOUAS-NXEZZACHSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-11-6-1-2-7-12(11)20-13(21)19-10-5-3-4-9(8-10)14(16,17)18/h1-2,6-7,9-10H,3-5,8H2,(H2,19,20,21)/t9-,10-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea?
1-(2-fluorophenyl)-3-[(1R,3R)-3-(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-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 32534093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).