2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate

C11H17F2NO2 — CID 174623149

IUPAC2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate
SMILESO=C(OCCNC1CCC(F)(F)C1)C1CC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)4-3-9(7-11)14-5-6-16-10(15)8-1-2-8/h8-9,14H,1-7H2
InChIKeyNNLBEDBWHYAHDX-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.72
Rot. Bonds5

About 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate

2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate (PubChem CID 174623149) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate
PubChem CID174623149
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate
SMILESO=C(OCCNC1CCC(F)(F)C1)C1CC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)4-3-9(7-11)14-5-6-16-10(15)8-1-2-8/h8-9,14H,1-7H2
InChIKeyNNLBEDBWHYAHDX-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoroethyl cyclopropanecarboxylate
CID 130693210
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate
CID 162556346
cis-methyl (1R,2R)-4,4-difluoro-2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118309432
(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate
CID 158542629
N-(2,2-difluoroethyl)-3,3-difluorocyclopentan-1-amine
CID 130831231
N-[(1-aminocyclobutyl)methyl]-3,3-difluorocyclopentan-1-amine
CID 130654103
2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
CID 106235196
ethyl 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499837
ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
CID 66671278
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
methyl 4-[2-(carbamoylamino)ethylamino]cyclohexane-1-carboxylate
CID 112753620

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate?
The IUPAC name of 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate (CID 174623149) is 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate.
What is the SMILES notation for 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate?
The canonical SMILES for 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate is O=C(OCCNC1CCC(F)(F)C1)C1CC1.
What is the InChIKey of 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate?
The InChIKey is NNLBEDBWHYAHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)4-3-9(7-11)14-5-6-16-10(15)8-1-2-8/h8-9,14H,1-7H2.
What are the key properties of 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate?
2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate has a molecular weight of 233.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate is sourced from PubChem (CID 174623149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).