1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea

C12H14F2N2O — CID 72880848

IUPAC1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)Nc1ccccc1C1CC1
InChIInChI=1S/C12H14F2N2O/c13-11(14)7-15-12(17)16-10-4-2-1-3-9(10)8-5-6-8/h1-4,8,11H,5-7H2,(H2,15,16,17)
InChIKeyFECFINBPOPCGDP-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.95
Rot. Bonds4

About 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea

1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea (PubChem CID 72880848) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea
PubChem CID72880848
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)Nc1ccccc1C1CC1
InChIInChI=1S/C12H14F2N2O/c13-11(14)7-15-12(17)16-10-4-2-1-3-9(10)8-5-6-8/h1-4,8,11H,5-7H2,(H2,15,16,17)
InChIKeyFECFINBPOPCGDP-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 16562
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CID 16116
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CID 36679
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CID 98771
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CID 182167
CID 182167
CID 896691
CID 896691
CID 6451134
CID 6451134
CID 4557394
CID 4557394
CID 478285
CID 478285
CID 2815427
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CID 2815457
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CID 24818667
CID 24818667

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea?
The IUPAC name of 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea (CID 72880848) is 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea is O=C(NCC(F)F)Nc1ccccc1C1CC1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea?
The InChIKey is FECFINBPOPCGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-11(14)7-15-12(17)16-10-4-2-1-3-9(10)8-5-6-8/h1-4,8,11H,5-7H2,(H2,15,16,17).
What are the key properties of 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea?
1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea has a molecular weight of 240.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea is sourced from PubChem (CID 72880848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).