1-chloro-3-(2-ethylpentyl)-5-fluorobenzene

C13H18ClF — CID 134350975

IUPAC1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
SMILESCCCC(CC)Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClF/c1-3-5-10(4-2)6-11-7-12(14)9-13(15)8-11/h7-10H,3-6H2,1-2H3
InChIKeyQLYLCCIEPHDUPO-UHFFFAOYSA-N
MW228.74 g/mol
LogP4.85
Rot. Bonds5

About 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene

1-chloro-3-(2-ethylpentyl)-5-fluorobenzene (PubChem CID 134350975) has the molecular formula C13H18ClF and a molecular weight of 228.74 g/mol. Its IUPAC name is 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
PubChem CID134350975
Molecular FormulaC13H18ClF
Molecular Weight228.74 g/mol
Exact Mass228.11
IUPAC Name1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
SMILESCCCC(CC)Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClF/c1-3-5-10(4-2)6-11-7-12(14)9-13(15)8-11/h7-10H,3-6H2,1-2H3
InChIKeyQLYLCCIEPHDUPO-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
CID 78018332
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
ethyl 2-chloro-3-(3-chloro-5-fluorophenyl)propanoate
CID 107371228
2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 105408036
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
CID 130650457
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine
CID 134423179
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene?
The IUPAC name of 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene (CID 134350975) is 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene?
The canonical SMILES for 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene is CCCC(CC)Cc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene?
The InChIKey is QLYLCCIEPHDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF/c1-3-5-10(4-2)6-11-7-12(14)9-13(15)8-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene?
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene has a molecular weight of 228.74 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-ethylpentyl)-5-fluorobenzene is sourced from PubChem (CID 134350975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).