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

C15H20ClF — CID 63461163

IUPAC1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene
SMILESCCC1CCC(Cl)C(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H20ClF/c1-2-11-6-7-15(16)13(8-11)9-12-4-3-5-14(17)10-12/h3-5,10-11,13,15H,2,6-9H2,1H3
InChIKeyVJYCLGABIHIYPB-UHFFFAOYSA-N
MW254.78 g/mol
LogP4.80
Rot. Bonds3

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

1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene (PubChem CID 63461163) has the molecular formula C15H20ClF and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene
PubChem CID63461163
Molecular FormulaC15H20ClF
Molecular Weight254.78 g/mol
Exact Mass254.12
IUPAC Name1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene
SMILESCCC1CCC(Cl)C(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H20ClF/c1-2-11-6-7-15(16)13(8-11)9-12-4-3-5-14(17)10-12/h3-5,10-11,13,15H,2,6-9H2,1H3
InChIKeyVJYCLGABIHIYPB-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 54.80
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

1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
1-bromo-3-[(2-chloro-5-ethylcyclohexyl)methyl]-5-fluorobenzene
CID 79709081
1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461866
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
CID 63461697
3-chloro-4-[(3-fluorophenyl)methyl]thiolane
CID 83190405
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
1-(cyclopropylmethylsulfonylmethyl)-3-fluorobenzene
CID 167784424
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
1-[(2-chloro-5-propylcyclohexyl)methyl]-4-iodobenzene
CID 65476334

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene?
The IUPAC name of 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene (CID 63461163) is 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene.
What is the SMILES notation for 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene?
The canonical SMILES for 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene is CCC1CCC(Cl)C(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene?
The InChIKey is VJYCLGABIHIYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF/c1-2-11-6-7-15(16)13(8-11)9-12-4-3-5-14(17)10-12/h3-5,10-11,13,15H,2,6-9H2,1H3.
What are the key properties of 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene?
1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene has a molecular weight of 254.78 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene is sourced from PubChem (CID 63461163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).