1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea

C10H17F3N2O — CID 115575969

IUPAC1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-15-9(16)14-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,14,15,16)
InChIKeyGUDZYLJBNSJNTA-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.43
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115575969) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115575969
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-15-9(16)14-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,14,15,16)
InChIKeyGUDZYLJBNSJNTA-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-N'-(cyclohexylmethyl)urea
CID 4153324
1,3-Bis(cyclohexylmethyl)urea
CID 231515
(Cyclohexylmethyl)urea
CID 231498
Ethylhexyl cyclohexyl urea
CID 4657034
1-(2-Fluoroethyl)-3-(4-methylcyclohexyl)urea
CID 276745
rac-3-methyl-1-((1R,2S)-2-methylcyclohexyl)urea
CID 138008216
1-(4-Ethylcyclohexyl)-3-(2-fluoroethyl)urea
CID 278333
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515
[3-(Trifluoromethyl)cyclohexyl]methylurea
CID 132299385
[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]urea
CID 132299810
1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
CID 164639619
1-(2-Fluoroethyl)-3-(1-propylcyclohexyl)urea
CID 25052270

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115575969) is 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC1CCCCC1)NCC(F)(F)F.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GUDZYLJBNSJNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7-15-9(16)14-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,14,15,16).
What are the key properties of 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115575969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).