4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene

C13H18ClF — CID 70931596

IUPAC4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
SMILESCCC(C)(CC)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClF/c1-4-13(3,5-2)9-10-6-7-11(14)8-12(10)15/h6-8H,4-5,9H2,1-3H3
InChIKeyYXCBZXMYHKSVFC-UHFFFAOYSA-N
MW228.74 g/mol
LogP4.85
Rot. Bonds4

About 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene

4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene (PubChem CID 70931596) has the molecular formula C13H18ClF and a molecular weight of 228.74 g/mol. Its IUPAC name is 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
PubChem CID70931596
Molecular FormulaC13H18ClF
Molecular Weight228.74 g/mol
Exact Mass228.11
IUPAC Name4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
SMILESCCC(C)(CC)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClF/c1-4-13(3,5-2)9-10-6-7-11(14)8-12(10)15/h6-8H,4-5,9H2,1-3H3
InChIKeyYXCBZXMYHKSVFC-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-[(4-chloro-2-fluorophenyl)methyl]-2-methylbutanenitrile
CID 114861473
1-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-fluorobenzene
CID 114861988
1-(4-chloro-2-fluorophenyl)-2,3,3-trimethylbutan-2-ol
CID 114852559
1-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 114853514
4-chloro-1-[2-(chloromethyl)-2,3-dimethylbutyl]-2-fluorobenzene
CID 114862097
4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
CID 103051481
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 114862692
5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 114860071
1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114853577
3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene?
The IUPAC name of 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene (CID 70931596) is 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene is CCC(C)(CC)Cc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene?
The InChIKey is YXCBZXMYHKSVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF/c1-4-13(3,5-2)9-10-6-7-11(14)8-12(10)15/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene?
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene has a molecular weight of 228.74 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene is sourced from PubChem (CID 70931596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).