4-fluoro-2H-azepine-7-carbaldehyde;methane

C8H10FNO — CID 143189919

IUPAC4-fluoro-2H-azepine-7-carbaldehyde;methane
SMILESC.O=CC1=NCC=C(F)C=C1
InChIInChI=1S/C7H6FNO.CH4/c8-6-1-2-7(5-10)9-4-3-6;/h1-3,5H,4H2;1H4
InChIKeyABJOJCGXCGTGMA-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.69
Rot. Bonds1

About 4-fluoro-2H-azepine-7-carbaldehyde;methane

4-fluoro-2H-azepine-7-carbaldehyde;methane (PubChem CID 143189919) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 4-fluoro-2H-azepine-7-carbaldehyde;methane.

Molecular Properties

Compound Name4-fluoro-2H-azepine-7-carbaldehyde;methane
PubChem CID143189919
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name4-fluoro-2H-azepine-7-carbaldehyde;methane
SMILESC.O=CC1=NCC=C(F)C=C1
InChIInChI=1S/C7H6FNO.CH4/c8-6-1-2-7(5-10)9-4-3-6;/h1-3,5H,4H2;1H4
InChIKeyABJOJCGXCGTGMA-UHFFFAOYSA-N
XLogP1.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2H-azepine-7-carbaldehyde
CID 143189920
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
CID 153396831
2-Ethyliminohex-3-enal
CID 91525888
2H-azepine-7-carbaldehyde
CID 91805301
2,7-dimethyl-2H-azepine-5-carbaldehyde
CID 138509374
(Z)-2-ethyliminohex-3-enal
CID 143817160
(3Z)-2-ethyliminohexa-3,5-dienal
CID 143141318
(Z)-2-ethyliminopent-3-enal
CID 145660114
(3Z)-4-methyl-2-propyliminohexa-3,5-dienal
CID 171811389

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2H-azepine-7-carbaldehyde;methane?
The IUPAC name of 4-fluoro-2H-azepine-7-carbaldehyde;methane (CID 143189919) is 4-fluoro-2H-azepine-7-carbaldehyde;methane.
What is the SMILES notation for 4-fluoro-2H-azepine-7-carbaldehyde;methane?
The canonical SMILES for 4-fluoro-2H-azepine-7-carbaldehyde;methane is C.O=CC1=NCC=C(F)C=C1.
What is the InChIKey of 4-fluoro-2H-azepine-7-carbaldehyde;methane?
The InChIKey is ABJOJCGXCGTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO.CH4/c8-6-1-2-7(5-10)9-4-3-6;/h1-3,5H,4H2;1H4.
What are the key properties of 4-fluoro-2H-azepine-7-carbaldehyde;methane?
4-fluoro-2H-azepine-7-carbaldehyde;methane has a molecular weight of 155.17 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2H-azepine-7-carbaldehyde;methane is sourced from PubChem (CID 143189919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).