3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide

C10H14FNO — CID 126727974

IUPAC3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)C1CC=C(F)C=C1C(N)=O
InChIInChI=1S/C10H14FNO/c1-6(2)8-4-3-7(11)5-9(8)10(12)13/h3,5-6,8H,4H2,1-2H3,(H2,12,13)
InChIKeyOIBVENBNLXOZHF-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.93
Rot. Bonds2

About 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide

3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 126727974) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
PubChem CID126727974
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)C1CC=C(F)C=C1C(N)=O
InChIInChI=1S/C10H14FNO/c1-6(2)8-4-3-7(11)5-9(8)10(12)13/h3,5-6,8H,4H2,1-2H3,(H2,12,13)
InChIKeyOIBVENBNLXOZHF-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutyl-(e,e)-2,4-decadienamide
CID 155926334
6-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 59865792
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
6-Ethyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 69708078
4-Fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 91584128
5,6-Dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 118163859
6-Fluorocyclohexa-1,3-diene-1-carboxamide
CID 129132598
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
5,6-Bis(but-2-ynyl)-5-fluorocyclohexa-1,3-diene-1-carboxamide
CID 134324180

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide (CID 126727974) is 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide is CC(C)C1CC=C(F)C=C1C(N)=O.
What is the InChIKey of 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is OIBVENBNLXOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6(2)8-4-3-7(11)5-9(8)10(12)13/h3,5-6,8H,4H2,1-2H3,(H2,12,13).
What are the key properties of 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 126727974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).