3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide

C9H11F2NO2 — CID 130611796

IUPAC3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide
SMILESC#CCONC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H11F2NO2/c1-2-5-14-12-8(13)7-3-4-9(10,11)6-7/h1,7H,3-6H2,(H,12,13)
InChIKeyBRERLAKBZMDZJH-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.10
Rot. Bonds3

About 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide

3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide (PubChem CID 130611796) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide
PubChem CID130611796
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide
SMILESC#CCONC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H11F2NO2/c1-2-5-14-12-8(13)7-3-4-9(10,11)6-7/h1,7H,3-6H2,(H,12,13)
InChIKeyBRERLAKBZMDZJH-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
CID 129348874
2-[(3,3-difluorocyclohexanecarbonyl)amino]pent-4-ynoic acid
CID 114226223
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158
(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 114226244
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
N-cyano-3,3-difluorocyclohexane-1-carboxamide
CID 126974588
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226310
N-[2-(bromomethyl)cyclohexyl]-3,3-difluorocyclopentane-1-carboxamide
CID 114226705
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
N-(2-methylpropoxy)cyclopropanecarboxamide
CID 115410090

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide (CID 130611796) is 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide is C#CCONC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide?
The InChIKey is BRERLAKBZMDZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-2-5-14-12-8(13)7-3-4-9(10,11)6-7/h1,7H,3-6H2,(H,12,13).
What are the key properties of 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide?
3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide has a molecular weight of 203.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide is sourced from PubChem (CID 130611796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).