1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene

C15H13ClF2O — CID 141001002

IUPAC1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene
SMILESFc1cccc(OC(CCCl)c2ccccc2F)c1
InChIInChI=1S/C15H13ClF2O/c16-9-8-15(13-6-1-2-7-14(13)18)19-12-5-3-4-11(17)10-12/h1-7,10,15H,8-9H2
InChIKeyZUQGMJJNLXDHJM-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.71
Rot. Bonds5

About 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene

1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene (PubChem CID 141001002) 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]-2-fluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene
PubChem CID141001002
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene
SMILESFc1cccc(OC(CCCl)c2ccccc2F)c1
InChIInChI=1S/C15H13ClF2O/c16-9-8-15(13-6-1-2-7-14(13)18)19-12-5-3-4-11(17)10-12/h1-7,10,15H,8-9H2
InChIKeyZUQGMJJNLXDHJM-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

1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene
CID 39364379
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 62337852
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(3-chloro-1-phenylpropoxy)-3-ethylbenzene
CID 112501878
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
CID 39380952
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
[3-(difluoromethoxy)phenyl]-(2-fluorophenyl)methanol
CID 115781698
2-(2-chlorophenyl)-2-(3,5-difluorophenoxy)ethanamine
CID 62785210
1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-phenylbenzene
CID 22225851
N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
CID 62458340
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene?
The IUPAC name of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene (CID 141001002) is 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene.
What is the SMILES notation for 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene?
The canonical SMILES for 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene is Fc1cccc(OC(CCCl)c2ccccc2F)c1.
What is the InChIKey of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene?
The InChIKey is ZUQGMJJNLXDHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c16-9-8-15(13-6-1-2-7-14(13)18)19-12-5-3-4-11(17)10-12/h1-7,10,15H,8-9H2.
What are the key properties of 1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-fluorobenzene?
1-[3-chloro-1-(3-fluorophenoxy)propyl]-2-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]-2-fluorobenzene is sourced from PubChem (CID 141001002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).