5-(3-fluoropropyl)-2-methoxybenzoyl fluoride

C11H12F2O2 — CID 45081221

IUPAC5-(3-fluoropropyl)-2-methoxybenzoyl fluoride
SMILESCOc1ccc(CCCF)cc1C(=O)F
InChIInChI=1S/C11H12F2O2/c1-15-10-5-4-8(3-2-6-12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyJJEKWJNJDGOZTI-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.71
Rot. Bonds5

About 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride

5-(3-fluoropropyl)-2-methoxybenzoyl fluoride (PubChem CID 45081221) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride.

Molecular Properties

Compound Name5-(3-fluoropropyl)-2-methoxybenzoyl fluoride
PubChem CID45081221
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name5-(3-fluoropropyl)-2-methoxybenzoyl fluoride
SMILESCOc1ccc(CCCF)cc1C(=O)F
InChIInChI=1S/C11H12F2O2/c1-15-10-5-4-8(3-2-6-12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyJJEKWJNJDGOZTI-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-(3-aminopropyl)-2-methoxybenzenesulfonic acid
CID 170867430
N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 22954106
ethyl 5-(4-cyanobutyl)-2-methoxybenzoate
CID 10967274
4-(5-(18F)fluoropentyl)phthalic acid
CID 71765931
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
4-[3-(difluoromethyl)-4-methoxyphenyl]butan-1-amine
CID 117330457

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride?
The IUPAC name of 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride (CID 45081221) is 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride.
What is the SMILES notation for 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride?
The canonical SMILES for 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride is COc1ccc(CCCF)cc1C(=O)F.
What is the InChIKey of 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride?
The InChIKey is JJEKWJNJDGOZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-15-10-5-4-8(3-2-6-12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride?
5-(3-fluoropropyl)-2-methoxybenzoyl fluoride has a molecular weight of 214.21 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-2-methoxybenzoyl fluoride is sourced from PubChem (CID 45081221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).