4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde

C14H13FO — CID 172566196

IUPAC4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde
SMILESCC1C=C(F)C=CC1c1ccc(C=O)cc1
InChIInChI=1S/C14H13FO/c1-10-8-13(15)6-7-14(10)12-4-2-11(9-16)3-5-12/h2-10,14H,1H3
InChIKeyZVSHDRGTZKNEFI-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.64
Rot. Bonds2

About 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde

4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde (PubChem CID 172566196) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde
PubChem CID172566196
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde
SMILESCC1C=C(F)C=CC1c1ccc(C=O)cc1
InChIInChI=1S/C14H13FO/c1-10-8-13(15)6-7-14(10)12-4-2-11(9-16)3-5-12/h2-10,14H,1H3
InChIKeyZVSHDRGTZKNEFI-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-(difluoromethyl)cyclobutyl]benzaldehyde
CID 115026728
5-(chloromethyl)-2-fluoro-6-methylcyclohexa-1,3-diene
CID 141133416
benzene;terephthalaldehyde
CID 163498156
4-(5,5-dimethyl-1,3-dioxan-2-yl)benzaldehyde
CID 14827744
4-[2-(fluoromethyl)cyclobutyl]benzaldehyde
CID 115019010
4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)benzaldehyde
CID 87906742
4-cycloheptylbenzaldehyde
CID 21484445
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-cyclooctylbenzaldehyde
CID 12923818
4-(3-hydroxycyclopentyl)benzaldehyde
CID 115018169
4-(4-tert-butylcyclohexyl)benzaldehyde
CID 117363264
4-(3,5-dimethylpiperidin-1-yl)benzaldehyde
CID 43200250

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde?
The IUPAC name of 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde (CID 172566196) is 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde is CC1C=C(F)C=CC1c1ccc(C=O)cc1.
What is the InChIKey of 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde?
The InChIKey is ZVSHDRGTZKNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-10-8-13(15)6-7-14(10)12-4-2-11(9-16)3-5-12/h2-10,14H,1H3.
What are the key properties of 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde?
4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde has a molecular weight of 216.25 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde is sourced from PubChem (CID 172566196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).