1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea

C10H16F4N2O — CID 88976832

IUPAC1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCCF)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H16F4N2O/c11-5-6-15-9(17)16-8-4-2-1-3-7(8)10(12,13)14/h7-8H,1-6H2,(H2,15,16,17)
InChIKeyTXFYCFBQPGGDPT-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.38
Rot. Bonds3

About 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea

1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea (PubChem CID 88976832) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea
PubChem CID88976832
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC Name1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCCF)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H16F4N2O/c11-5-6-15-9(17)16-8-4-2-1-3-7(8)10(12,13)14/h7-8H,1-6H2,(H2,15,16,17)
InChIKeyTXFYCFBQPGGDPT-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea (CID 88976832) is 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea is O=C(NCCF)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is TXFYCFBQPGGDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c11-5-6-15-9(17)16-8-4-2-1-3-7(8)10(12,13)14/h7-8H,1-6H2,(H2,15,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea?
1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 256.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 88976832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).