1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene

C15H13ClF2O — CID 22015775

IUPAC1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene
SMILESFc1cccc(OC(CCCl)c2cccc(F)c2)c1
InChIInChI=1S/C15H13ClF2O/c16-8-7-15(11-3-1-4-12(17)9-11)19-14-6-2-5-13(18)10-14/h1-6,9-10,15H,7-8H2
InChIKeyABLGQWGBSPAABR-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.71
Rot. Bonds5

About 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene

1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene (PubChem CID 22015775) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene
PubChem CID22015775
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene
SMILESFc1cccc(OC(CCCl)c2cccc(F)c2)c1
InChIInChI=1S/C15H13ClF2O/c16-8-7-15(11-3-1-4-12(17)9-11)19-14-6-2-5-13(18)10-14/h1-6,9-10,15H,7-8H2
InChIKeyABLGQWGBSPAABR-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl Phenyl Ether
CID 70352
3-Phenoxybenzyl chloride
CID 93291
1-(4-Chlorobutoxy)-2-methylbenzene
CID 96477
1-(4-Chlorobutoxy)-3-methylbenzene
CID 96478
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
1-Fluoro-4-[(4-iodophenyl)methoxy]benzene
CID 19106793
4-Benzyloxybenzyl chloride
CID 70042
ST51042142
CID 2760895
Potassium (4-(benzyloxy)phenyl)trifluoroboranuide
CID 23716867
1-(Chloromethyl)-4-[4-(chloromethyl)phenoxy]benzene
CID 119907
1-(3-Chloropropoxy)-4-fluorobenzene
CID 74391
2-Phenylethyl phenyl ether
CID 142465

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene?
The IUPAC name of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene (CID 22015775) is 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene.
What is the SMILES notation for 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene?
The canonical SMILES for 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene is Fc1cccc(OC(CCCl)c2cccc(F)c2)c1.
What is the InChIKey of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene?
The InChIKey is ABLGQWGBSPAABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c16-8-7-15(11-3-1-4-12(17)9-11)19-14-6-2-5-13(18)10-14/h1-6,9-10,15H,7-8H2.
What are the key properties of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene?
1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene has a molecular weight of 282.72 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-1-(3-fluorophenoxy)propyl]-3-fluorobenzene is sourced from PubChem (CID 22015775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).