1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea

C10H17F3N2O — CID 107397930

IUPAC1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC1CCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-15(6-8-4-3-5-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyXAYRBPDHSJTXQV-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds4

About 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea

1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 107397930) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID107397930
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC1CCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-15(6-8-4-3-5-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyXAYRBPDHSJTXQV-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
1-Cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea
CID 71858906
N-methyl-4-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 132288983
1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 68260776
1-Butyl-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 78891445
4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 89616505
1-[(1-Methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113233560
1-(Cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115582836
3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115686644
[(3,3-Difluorocyclobutyl)methyl]urea
CID 128493717
N-(2,2-difluoropropyl)-4-methylpiperidine-1-carboxamide
CID 134418849

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea (CID 107397930) is 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea is CCN(CC1CCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XAYRBPDHSJTXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-15(6-8-4-3-5-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea?
1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 107397930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).