1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene

C15H13ClF2O — CID 10779302

IUPAC1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(OCCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13ClF2O/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyFFEFFMLVFNFYPA-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.31
Rot. Bonds5

About 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene

1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene (PubChem CID 10779302) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
PubChem CID10779302
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(OCCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13ClF2O/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyFFEFFMLVFNFYPA-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
cis-Stilbene oxide
CID 98511
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
((3-Chloropropoxy)methyl)benzene
CID 221505
Benzyl 2-Chloroethyl Ether
CID 223538
trans-Stilbene oxide
CID 91504
(3-Chloro-1-methoxypropyl)benzene
CID 97992
(R,R)-Stilbene oxide
CID 185583
Stilbene oxide
CID 28649
Diphenylmethyl propyl ether
CID 4651659
O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155562131
O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
CID 22989786

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene (CID 10779302) is 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene is Fc1ccc(C(OCCCl)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The InChIKey is FFEFFMLVFNFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2.
What are the key properties of 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene has a molecular weight of 282.72 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloroethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 10779302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).