1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea

C13H21F3N2O — CID 71858906

IUPAC1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCC1CCC1)N(CCC(F)(F)F)C1CCC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)7-8-18(11-5-2-6-11)12(19)17-9-10-3-1-4-10/h10-11H,1-9H2,(H,17,19)
InChIKeyVMNDRMPGYMLRKQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.30
Rot. Bonds5

About 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea

1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea (PubChem CID 71858906) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea
PubChem CID71858906
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCC1CCC1)N(CCC(F)(F)F)C1CCC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)7-8-18(11-5-2-6-11)12(19)17-9-10-3-1-4-10/h10-11H,1-9H2,(H,17,19)
InChIKeyVMNDRMPGYMLRKQ-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
1-(Cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115582836
N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide
CID 141642792
1-(3,3-Difluorocyclobutyl)-1-methyl-3-(4-methylpentyl)urea
CID 153623506
1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 164556261
4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
CID 167135253
1-Cyclobutyl-3-[(1-methylpiperidin-3-yl)methyl]-1-(3,3,3-trifluoropropyl)urea
CID 71973952
1-cyclobutyl-3-[[(3R)-1-methylpiperidin-3-yl]methyl]-1-(3,3,3-trifluoropropyl)urea
CID 97597130
1-cyclobutyl-3-[[(3S)-1-methylpiperidin-3-yl]methyl]-1-(3,3,3-trifluoropropyl)urea
CID 97597132
1-(Cyclobutylmethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 107397930
N-cyclobutyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 113245868
1-(3-Amino-4-methylpentyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 113463044

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea (CID 71858906) is 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea is O=C(NCC1CCC1)N(CCC(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is VMNDRMPGYMLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)7-8-18(11-5-2-6-11)12(19)17-9-10-3-1-4-10/h10-11H,1-9H2,(H,17,19).
What are the key properties of 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea?
1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 278.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 71858906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).