1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene

C17H18ClF — CID 63434643

IUPAC1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(Cl)Cc2ccccc2F)cc1
InChIInChI=1S/C17H18ClF/c1-12(2)13-7-9-14(10-8-13)16(18)11-15-5-3-4-6-17(15)19/h3-10,12,16H,11H2,1-2H3
InChIKeyVYSVZXQKXXTNFQ-UHFFFAOYSA-N
MW276.78 g/mol
LogP5.47
Rot. Bonds4

About 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene

1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene (PubChem CID 63434643) has the molecular formula C17H18ClF and a molecular weight of 276.78 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
PubChem CID63434643
Molecular FormulaC17H18ClF
Molecular Weight276.78 g/mol
Exact Mass276.11
IUPAC Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(Cl)Cc2ccccc2F)cc1
InChIInChI=1S/C17H18ClF/c1-12(2)13-7-9-14(10-8-13)16(18)11-15-5-3-4-6-17(15)19/h3-10,12,16H,11H2,1-2H3
InChIKeyVYSVZXQKXXTNFQ-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.78
LogP ≤ 55.47
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

4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
1-[2-(1-chloroethyl)-3-methylbutyl]-2-fluorobenzene
CID 63471115
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene (CID 63434643) is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene is CC(C)c1ccc(C(Cl)Cc2ccccc2F)cc1.
What is the InChIKey of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
The InChIKey is VYSVZXQKXXTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF/c1-12(2)13-7-9-14(10-8-13)16(18)11-15-5-3-4-6-17(15)19/h3-10,12,16H,11H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene has a molecular weight of 276.78 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 63434643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).