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

C19H21ClF2O — CID 139851815

IUPAC1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene
SMILESCCC(Cl)CCCOC(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C19H21ClF2O/c1-2-14(20)8-7-13-23-19(15-9-3-5-11-17(15)21)16-10-4-6-12-18(16)22/h3-6,9-12,14,19H,2,7-8,13H2,1H3
InChIKeyCUKDAMJCDUMVRB-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.87
Rot. Bonds8

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

1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene (PubChem CID 139851815) has the molecular formula C19H21ClF2O and a molecular weight of 338.82 g/mol. Its IUPAC name is 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene
PubChem CID139851815
Molecular FormulaC19H21ClF2O
Molecular Weight338.82 g/mol
Exact Mass338.12
IUPAC Name1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene
SMILESCCC(Cl)CCCOC(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C19H21ClF2O/c1-2-14(20)8-7-13-23-19(15-9-3-5-11-17(15)21)16-10-4-6-12-18(16)22/h3-6,9-12,14,19H,2,7-8,13H2,1H3
InChIKeyCUKDAMJCDUMVRB-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorohexyl)-2-fluorobenzene
CID 64507075
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018505
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1-(4-chloroheptyl)-2-fluorobenzene
CID 64513555
2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
CID 91824497
1-(2-fluorophenyl)propan-1-amine
CID 18439474
2-ethoxy-2-(2-fluorophenyl)acetaldehyde
CID 23169889
5-ethoxy-2-(2-fluorophenyl)pentanoic acid
CID 79439803
N-ethyl-2-(2-fluorophenyl)-2-pentoxyethanamine
CID 55036773
1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
CID 66233120
1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
5-(4-chlorophenoxy)-2-(2-fluorophenyl)pentanenitrile
CID 82137230

Frequently Asked Questions

What is the IUPAC name of 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene (CID 139851815) is 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene is CCC(Cl)CCCOC(c1ccccc1F)c1ccccc1F.
What is the InChIKey of 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene?
The InChIKey is CUKDAMJCDUMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2O/c1-2-14(20)8-7-13-23-19(15-9-3-5-11-17(15)21)16-10-4-6-12-18(16)22/h3-6,9-12,14,19H,2,7-8,13H2,1H3.
What are the key properties of 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene?
1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene has a molecular weight of 338.82 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 139851815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).