3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea

C10H17F3N2O — CID 115590965

IUPAC3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea
SMILESCN(CCC(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C10H17F3N2O/c1-15(7-6-10(11,12)13)9(16)14-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,14,16)
InChIKeyAPDSZDDSTJRWEU-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.52
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea

3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea (PubChem CID 115590965) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea
PubChem CID115590965
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea
SMILESCN(CCC(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C10H17F3N2O/c1-15(7-6-10(11,12)13)9(16)14-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,14,16)
InChIKeyAPDSZDDSTJRWEU-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N'-cyclopentylurea
CID 4150224
N-Cyclopentyl-N'-methylurea
CID 13428331
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
1-(4,4-Difluorocyclohexyl)-1,3-dimethylurea
CID 132292305
1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
CID 164639619
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
1-Methyl-3-(3-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 68260672
3-(3-Ethylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260685
1-Hexyl-3-(2,2,2-trifluoroethyl)urea
CID 78880728
(3,3-Difluorocyclopentyl)urea
CID 88975015
1-Hexan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348838

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea (CID 115590965) is 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea is CN(CCC(F)(F)F)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is APDSZDDSTJRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-15(7-6-10(11,12)13)9(16)14-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea?
3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 115590965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).