3-fluoro-5-hept-6-enoxybenzaldehyde

C14H17FO2 — CID 107007342

IUPAC3-fluoro-5-hept-6-enoxybenzaldehyde
SMILESC=CCCCCCOc1cc(F)cc(C=O)c1
InChIInChI=1S/C14H17FO2/c1-2-3-4-5-6-7-17-14-9-12(11-16)8-13(15)10-14/h2,8-11H,1,3-7H2
InChIKeyJBQKHJPRBJBXEC-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.76
Rot. Bonds8

About 3-fluoro-5-hept-6-enoxybenzaldehyde

3-fluoro-5-hept-6-enoxybenzaldehyde (PubChem CID 107007342) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-fluoro-5-hept-6-enoxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-hept-6-enoxybenzaldehyde
PubChem CID107007342
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name3-fluoro-5-hept-6-enoxybenzaldehyde
SMILESC=CCCCCCOc1cc(F)cc(C=O)c1
InChIInChI=1S/C14H17FO2/c1-2-3-4-5-6-7-17-14-9-12(11-16)8-13(15)10-14/h2,8-11H,1,3-7H2
InChIKeyJBQKHJPRBJBXEC-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(4-undec-10-enoxyphenyl)benzaldehyde
CID 102474145
4-hept-6-enoxy-3,5-dimethylbenzaldehyde
CID 107007315
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107006338
3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
CID 106202440
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
CID 107006334
3,5-didodecoxybenzaldehyde
CID 23127431
5-prop-2-enoxybenzene-1,3-dicarbaldehyde
CID 10750177
(9Z,12Z)-20-[3-[(8Z,11Z)-19-carboxynonadeca-8,11-dienoxy]-5-formylphenoxy]icosa-9,12-dienoic acid
CID 154406335
3,5-bis(4-bromobutoxy)benzaldehyde
CID 121004759
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
2-hydroxy-5-undec-10-enoxybenzaldehyde
CID 21260819
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-hept-6-enoxybenzaldehyde?
The IUPAC name of 3-fluoro-5-hept-6-enoxybenzaldehyde (CID 107007342) is 3-fluoro-5-hept-6-enoxybenzaldehyde.
What is the SMILES notation for 3-fluoro-5-hept-6-enoxybenzaldehyde?
The canonical SMILES for 3-fluoro-5-hept-6-enoxybenzaldehyde is C=CCCCCCOc1cc(F)cc(C=O)c1.
What is the InChIKey of 3-fluoro-5-hept-6-enoxybenzaldehyde?
The InChIKey is JBQKHJPRBJBXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-3-4-5-6-7-17-14-9-12(11-16)8-13(15)10-14/h2,8-11H,1,3-7H2.
What are the key properties of 3-fluoro-5-hept-6-enoxybenzaldehyde?
3-fluoro-5-hept-6-enoxybenzaldehyde has a molecular weight of 236.29 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-hept-6-enoxybenzaldehyde is sourced from PubChem (CID 107007342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).