2-tert-butyl-4-chloro-1-fluorobenzene

C10H12ClF — CID 58745497

IUPAC2-tert-butyl-4-chloro-1-fluorobenzene
SMILESCC(C)(C)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClF/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChIKeyAFJMREJLTSVHIS-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.78
Rot. Bonds

About 2-tert-butyl-4-chloro-1-fluorobenzene

2-tert-butyl-4-chloro-1-fluorobenzene (PubChem CID 58745497) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1-fluorobenzene.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1-fluorobenzene
PubChem CID58745497
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name2-tert-butyl-4-chloro-1-fluorobenzene
SMILESCC(C)(C)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClF/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChIKeyAFJMREJLTSVHIS-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Chlorotoluene
CID 7931
3-Chlorobiphenyl
CID 16322
3,3'-Dichlorobiphenyl
CID 16307
3-Chlorobenzotrifluoride
CID 7374
Neophyl chloride
CID 68191
m-Chlorostyrene
CID 14905
4-Chloro-o-xylene
CID 32886
1-Chloro-2,3-dimethylbenzene
CID 32884
1-Chloro-3-ethylbenzene
CID 136426
Benzene, 1-butyl-4-chloro-
CID 524314
2-Chloro-6-fluorotoluene
CID 9933
4-Chlorocumene
CID 17493

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1-fluorobenzene?
The IUPAC name of 2-tert-butyl-4-chloro-1-fluorobenzene (CID 58745497) is 2-tert-butyl-4-chloro-1-fluorobenzene.
What is the SMILES notation for 2-tert-butyl-4-chloro-1-fluorobenzene?
The canonical SMILES for 2-tert-butyl-4-chloro-1-fluorobenzene is CC(C)(C)c1cc(Cl)ccc1F.
What is the InChIKey of 2-tert-butyl-4-chloro-1-fluorobenzene?
The InChIKey is AFJMREJLTSVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-1-fluorobenzene?
2-tert-butyl-4-chloro-1-fluorobenzene has a molecular weight of 186.66 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1-fluorobenzene is sourced from PubChem (CID 58745497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).