5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide

C10H11F2NO — CID 142788435

IUPAC5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(F)C(F)(C2CC2)C1
InChIInChI=1S/C10H11F2NO/c11-8-4-1-6(9(13)14)5-10(8,12)7-2-3-7/h1,4,7H,2-3,5H2,(H2,13,14)
InChIKeyAIHZCHJRYHGDHZ-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.77
Rot. Bonds2

About 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide

5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 142788435) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
PubChem CID142788435
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(F)C(F)(C2CC2)C1
InChIInChI=1S/C10H11F2NO/c11-8-4-1-6(9(13)14)5-10(8,12)7-2-3-7/h1,4,7H,2-3,5H2,(H2,13,14)
InChIKeyAIHZCHJRYHGDHZ-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Cyclopropyl-4,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68949408
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
5,6-Diethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 69636436
4-Cyclohexyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 89733554
3-Fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
CID 126727974
3,4-Difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 129145005
6-Ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 130384223
5-Ethyl-4-fluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 130384225
4-Iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide
CID 134379636
4-Fluoro-5-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
CID 163885042
6-Butyl-4,5-difluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 174615306
2-Cyclohexyl-4,4,4-trifluorobut-2-enamide
CID 174986521

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide (CID 142788435) is 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC=C(F)C(F)(C2CC2)C1.
What is the InChIKey of 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is AIHZCHJRYHGDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-4-1-6(9(13)14)5-10(8,12)7-2-3-7/h1,4,7H,2-3,5H2,(H2,13,14).
What are the key properties of 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 199.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142788435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).