4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide

C10H14FNO — CID 146544065

IUPAC4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)NC(=O)C1C=CC(F)=CC1
InChIInChI=1S/C10H14FNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3,5-8H,4H2,1-2H3,(H,12,13)
InChIKeyWLWICWVJZFJTOD-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.94
Rot. Bonds2

About 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide

4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 146544065) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID146544065
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)NC(=O)C1C=CC(F)=CC1
InChIInChI=1S/C10H14FNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3,5-8H,4H2,1-2H3,(H,12,13)
InChIKeyWLWICWVJZFJTOD-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z,7Z,10Z,12Z,15Z,18Z)-N-propan-2-ylhenicosa-4,7,10,12,15,18-hexaenamide
CID 53324039
N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
CID 172877856
N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 126786058
N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
N-tert-butyl-1-fluorocyclohexa-2,4-diene-1-carboxamide
CID 19418905
N-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027847
N-(2-aminoethyl)-4,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68305478
N-cyclobutyl-2,4-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68383261
2,3,4,6-tetrafluoro-4-methyl-N-(3-methylbutan-2-yl)cyclohexa-2,5-diene-1-carboxamide
CID 68952769
N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide
CID 89073491
N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 89073525
N-(3,5-difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 89073531

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide (CID 146544065) is 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide is CC(C)NC(=O)C1C=CC(F)=CC1.
What is the InChIKey of 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is WLWICWVJZFJTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3,5-8H,4H2,1-2H3,(H,12,13).
What are the key properties of 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide?
4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 146544065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).