6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide

C10H14FNO — CID 146308368

IUPAC6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCC1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C10H14FNO/c1-2-6-10(11)7-4-3-5-8(10)9(12)13/h3-5,7-8H,2,6H2,1H3,(H2,12,13)
InChIKeySYVTVNUSAULWNX-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.72
Rot. Bonds3

About 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide

6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 146308368) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide
PubChem CID146308368
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCC1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C10H14FNO/c1-2-6-10(11)7-4-3-5-8(10)9(12)13/h3-5,7-8H,2,6H2,1H3,(H2,12,13)
InChIKeySYVTVNUSAULWNX-UHFFFAOYSA-N
XLogP1.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclohexene-1-carboxamide
CID 301015
Cyclohex-2-en-acetamide
CID 14143177
(1S)-cyclohex-3-ene-1-carboxamide
CID 51410670
2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide
CID 20522320
2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide
CID 20522321
6-Cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66666374
6-(Cyanomethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66751824
6-Cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 67173455
6-Cyclopropyl-4,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68949408
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
6-Ethyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 69543217

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide (CID 146308368) is 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide is CCCC1(F)C=CC=CC1C(N)=O.
What is the InChIKey of 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is SYVTVNUSAULWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-6-10(11)7-4-3-5-8(10)9(12)13/h3-5,7-8H,2,6H2,1H3,(H2,12,13).
What are the key properties of 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide?
6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-propylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 146308368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).