N-ethoxy-3,3-difluorocyclohexane-1-carboxamide

C9H15F2NO2 — CID 130487784

IUPACN-ethoxy-3,3-difluorocyclohexane-1-carboxamide
SMILESCCONC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-2-14-12-8(13)7-4-3-5-9(10,11)6-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyDTMHIXWPPSRSRJ-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.88
Rot. Bonds3

About N-ethoxy-3,3-difluorocyclohexane-1-carboxamide

N-ethoxy-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 130487784) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is N-ethoxy-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethoxy-3,3-difluorocyclohexane-1-carboxamide
PubChem CID130487784
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC NameN-ethoxy-3,3-difluorocyclohexane-1-carboxamide
SMILESCCONC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-2-14-12-8(13)7-4-3-5-9(10,11)6-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyDTMHIXWPPSRSRJ-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N-prop-2-ynoxycyclopentane-1-carboxamide
CID 130611796
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226715
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226310
N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226716
N-ethoxypiperidine-4-carboxamide
CID 64974737
N-cyano-3,3-difluorocyclohexane-1-carboxamide
CID 126974588
2-chloro-1-(3,3-difluorocyclohexyl)ethanone
CID 130487880
2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 114226173
1-(3,3-difluorocyclohexyl)-3-methylbutan-1-one
CID 130484741
4-amino-2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 114226143
(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
CID 177192865

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-ethoxy-3,3-difluorocyclohexane-1-carboxamide (CID 130487784) is N-ethoxy-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-ethoxy-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-ethoxy-3,3-difluorocyclohexane-1-carboxamide is CCONC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of N-ethoxy-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is DTMHIXWPPSRSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-14-12-8(13)7-4-3-5-9(10,11)6-7/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of N-ethoxy-3,3-difluorocyclohexane-1-carboxamide?
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 207.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 130487784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).