2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene

C17H17Cl2F — CID 81461295

IUPAC2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
SMILESCCc1ccc(CC)c(C(Cl)c2cccc(F)c2Cl)c1
InChIInChI=1S/C17H17Cl2F/c1-3-11-8-9-12(4-2)14(10-11)16(18)13-6-5-7-15(20)17(13)19/h5-10,16H,3-4H2,1-2H3
InChIKeySVHPHPLLOVTBNI-UHFFFAOYSA-N
MW311.23 g/mol
LogP5.93
Rot. Bonds4

About 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene

2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene (PubChem CID 81461295) has the molecular formula C17H17Cl2F and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
PubChem CID81461295
Molecular FormulaC17H17Cl2F
Molecular Weight311.23 g/mol
Exact Mass310.07
IUPAC Name2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
SMILESCCc1ccc(CC)c(C(Cl)c2cccc(F)c2Cl)c1
InChIInChI=1S/C17H17Cl2F/c1-3-11-8-9-12(4-2)14(10-11)16(18)13-6-5-7-15(20)17(13)19/h5-10,16H,3-4H2,1-2H3
InChIKeySVHPHPLLOVTBNI-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.23
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
CID 107958899
1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
CID 81308392
1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
CID 81461610
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
2-[(4-bromo-2-methoxyphenyl)-chloromethyl]-1,4-diethylbenzene
CID 115369895
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-chloro-3-fluorobenzene
CID 81461836
2-chloro-1-fluoro-3-pentan-2-ylbenzene
CID 166688461
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
CID 81462158
2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
CID 82987639
1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81461552
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene?
The IUPAC name of 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene (CID 81461295) is 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene?
The canonical SMILES for 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene is CCc1ccc(CC)c(C(Cl)c2cccc(F)c2Cl)c1.
What is the InChIKey of 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene?
The InChIKey is SVHPHPLLOVTBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2F/c1-3-11-8-9-12(4-2)14(10-11)16(18)13-6-5-7-15(20)17(13)19/h5-10,16H,3-4H2,1-2H3.
What are the key properties of 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene?
2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene has a molecular weight of 311.23 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene is sourced from PubChem (CID 81461295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).