1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene

C27H21ClF2 — CID 69230893

IUPAC1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(Cc2ccccc2C(Cl)c2ccccc2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C27H21ClF2/c28-27(25-7-3-1-5-21(25)17-19-9-13-23(29)14-10-19)26-8-4-2-6-22(26)18-20-11-15-24(30)16-12-20/h1-16,27H,17-18H2
InChIKeyIDQUYRSQKGJCGY-UHFFFAOYSA-N
MW418.91 g/mol
LogP7.47
Rot. Bonds6

About 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene

1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene (PubChem CID 69230893) has the molecular formula C27H21ClF2 and a molecular weight of 418.91 g/mol. Its IUPAC name is 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene
PubChem CID69230893
Molecular FormulaC27H21ClF2
Molecular Weight418.91 g/mol
Exact Mass418.13
IUPAC Name1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(Cc2ccccc2C(Cl)c2ccccc2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C27H21ClF2/c28-27(25-7-3-1-5-21(25)17-19-9-13-23(29)14-10-19)26-8-4-2-6-22(26)18-20-11-15-24(30)16-12-20/h1-16,27H,17-18H2
InChIKeyIDQUYRSQKGJCGY-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.91
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene 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

1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene
CID 171834345
4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline
CID 70388801
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
CID 63543511
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
CID 141398456
1-[3-chloro-3-[1-chloro-3-(4-fluorophenyl)propoxy]propyl]-4-fluorobenzene
CID 139900232
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591
1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63542822
1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
CID 141324815
4-[(4-fluorophenyl)methyl]naphthalen-1-ol
CID 70607159
chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
CID 70538509

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene?
The IUPAC name of 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene (CID 69230893) is 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene?
The canonical SMILES for 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene is Fc1ccc(Cc2ccccc2C(Cl)c2ccccc2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene?
The InChIKey is IDQUYRSQKGJCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClF2/c28-27(25-7-3-1-5-21(25)17-19-9-13-23(29)14-10-19)26-8-4-2-6-22(26)18-20-11-15-24(30)16-12-20/h1-16,27H,17-18H2.
What are the key properties of 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene?
1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene has a molecular weight of 418.91 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene is sourced from PubChem (CID 69230893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).