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

C8H13F3N2O — CID 115590513

IUPAC1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(C)CC1NC(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-7(2)3-5(7)13-6(14)12-4-8(9,10)11/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyITMKIMSXJCMIHS-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.65
Rot. Bonds2

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

1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115590513) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115590513
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(C)CC1NC(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-7(2)3-5(7)13-6(14)12-4-8(9,10)11/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyITMKIMSXJCMIHS-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1,1-bis(trifluoromethyl)propyl]-N'-(sec-butyl)urea
CID 2836461
1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
Urea, [2,2-bis(trifluoromethyl)cyclopropyl]-
CID 6420519
1-Propan-2-yl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 57846657
1-Tert-butyl-3-(2,2-difluorobutyl)urea
CID 88582203
1-Methyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 89147730
(4,4,4-Trifluoro-3,3-dimethylbutyl)urea
CID 89813919
1-Pentan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348956
1-(Cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115578521
1-(2-Fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
CID 118330200
1-(2,2-Difluorocyclopropyl)-3-methylurea
CID 118332583
1-(2,2-Difluorocyclopropyl)-3-propan-2-ylurea
CID 121429580

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea (CID 115590513) is 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea is CC1(C)CC1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ITMKIMSXJCMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-7(2)3-5(7)13-6(14)12-4-8(9,10)11/h5H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 210.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115590513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).