1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea

C8H11F3N2O — CID 106211177

IUPAC1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESO=C(NC1CC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(3-4-7)13-6(14)12-5-1-2-5/h5H,1-4H2,(H2,12,13,14)
InChIKeyVTDDNRFMIRQFKR-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.54
Rot. Bonds2

About 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea

1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea (PubChem CID 106211177) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
PubChem CID106211177
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESO=C(NC1CC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(3-4-7)13-6(14)12-5-1-2-5/h5H,1-4H2,(H2,12,13,14)
InChIKeyVTDDNRFMIRQFKR-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(cyclopropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid
CID 162369969
1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106216317
1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea
CID 109394253
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106216855
3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
CID 106218893
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
CID 106216540
1-cyclopentyl-3-(1-methylcyclopropyl)urea
CID 115635212
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid
CID 114159452
6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
CID 106213963
4-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]benzoic acid
CID 106216368

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea (CID 106211177) is 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea is O=C(NC1CC1)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is VTDDNRFMIRQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)7(3-4-7)13-6(14)12-5-1-2-5/h5H,1-4H2,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 208.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 106211177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).