1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea

C9H14F2N2O — CID 130609514

IUPAC1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
SMILESO=C(NC1CC1)NC1CCC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-3-7(5-9)13-8(14)12-6-1-2-6/h6-7H,1-5H2,(H2,12,13,14)
InChIKeyQCJOPKHINJOBIQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.64
Rot. Bonds2

About 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea

1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea (PubChem CID 130609514) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
PubChem CID130609514
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
SMILESO=C(NC1CC1)NC1CCC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-3-7(5-9)13-8(14)12-6-1-2-6/h6-7H,1-5H2,(H2,12,13,14)
InChIKeyQCJOPKHINJOBIQ-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
N-(4,4-difluorocyclohexyl)butanamide
CID 131166223
1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
2-[(3,3-difluorocyclopentyl)amino]butanoic acid
CID 91516585
1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea
CID 136531775
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106211177
methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate
CID 162556346
2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate
CID 174623149
1-cyclobutyl-3-cyclohexylurea
CID 17217147
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea (CID 130609514) is 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea is O=C(NC1CC1)NC1CCC(F)(F)C1.
What is the InChIKey of 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea?
The InChIKey is QCJOPKHINJOBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)4-3-7(5-9)13-8(14)12-6-1-2-6/h6-7H,1-5H2,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea?
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea has a molecular weight of 204.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea is sourced from PubChem (CID 130609514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).