4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride

C14H17ClFNO2 — CID 134520891

IUPAC4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
SMILESO=C(Cl)c1ccc(OC2CCN(CCCF)C2)cc1
InChIInChI=1S/C14H17ClFNO2/c15-14(18)11-2-4-12(5-3-11)19-13-6-9-17(10-13)8-1-7-16/h2-5,13H,1,6-10H2
InChIKeyYYDHZJCIPSMCFK-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.88
Rot. Bonds6

About 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride

4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride (PubChem CID 134520891) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride.

Molecular Properties

Compound Name4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
PubChem CID134520891
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
SMILESO=C(Cl)c1ccc(OC2CCN(CCCF)C2)cc1
InChIInChI=1S/C14H17ClFNO2/c15-14(18)11-2-4-12(5-3-11)19-13-6-9-17(10-13)8-1-7-16/h2-5,13H,1,6-10H2
InChIKeyYYDHZJCIPSMCFK-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 154703687
3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine;hydrochloride
CID 154791786
5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde
CID 174210863
4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenol
CID 139408666
6-(2-chlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 130232873
methyl 6-(2,4-dichlorophenyl)-5-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylate
CID 130232942
5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-6-(4-methoxy-2-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 130232398
5-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-6-(4-methoxy-2-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 151895842
5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-6-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 158046742
[8-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-5,6-dihydronaphthalen-2-yl] hydrogen carbonate
CID 175577795
1-[6-(4-chloro-2-hydroxyphenyl)-5-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulen-2-yl]ethanone
CID 170286561
methyl 4-[3-[4-(4-chlorophenoxy)phenoxy]pyrrolidin-1-yl]butanoate
CID 69004125

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride?
The IUPAC name of 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride (CID 134520891) is 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride.
What is the SMILES notation for 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride?
The canonical SMILES for 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride is O=C(Cl)c1ccc(OC2CCN(CCCF)C2)cc1.
What is the InChIKey of 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride?
The InChIKey is YYDHZJCIPSMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-14(18)11-2-4-12(5-3-11)19-13-6-9-17(10-13)8-1-7-16/h2-5,13H,1,6-10H2.
What are the key properties of 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride?
4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride has a molecular weight of 285.75 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride is sourced from PubChem (CID 134520891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).