1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane

C14H22F2 — CID 91195776

IUPAC1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
SMILESCCc1c(C)c(C)c(CF)c(C)c1C.CF
InChIInChI=1S/C13H19F.CH3F/c1-6-12-8(2)10(4)13(7-14)11(5)9(12)3;1-2/h6-7H2,1-5H3;1H3
InChIKeyXDIQAUBMKOCZJO-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.54
Rot. Bonds2

About 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane

1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane (PubChem CID 91195776) has the molecular formula C14H22F2 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane.

Molecular Properties

Compound Name1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
PubChem CID91195776
Molecular FormulaC14H22F2
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
SMILESCCc1c(C)c(C)c(CF)c(C)c1C.CF
InChIInChI=1S/C13H19F.CH3F/c1-6-12-8(2)10(4)13(7-14)11(5)9(12)3;1-2/h6-7H2,1-5H3;1H3
InChIKeyXDIQAUBMKOCZJO-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3,5,6-tetramethyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
CID 20685020
1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
CID 59872066
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
CID 91325088
4,6-diamino-5-ethyl-2-methylbenzene-1,3-dithiol
CID 123643667
1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene
CID 87780827
1,2,4,5-tetrafluoro-3-(fluoromethyl)-6-methylbenzene
CID 14423018
1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
CID 177164179
3-ethyl-2,4-dimethylaniline
CID 20714339
2,4,6-triethyl-3-methyl-5-phosphanylaniline
CID 142461641
1-but-1-ynyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
CID 59872093
1,4-difluoro-2-(fluoromethyl)-3-methylbenzene
CID 130885919

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane?
The IUPAC name of 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane (CID 91195776) is 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane.
What is the SMILES notation for 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane?
The canonical SMILES for 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane is CCc1c(C)c(C)c(CF)c(C)c1C.CF.
What is the InChIKey of 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane?
The InChIKey is XDIQAUBMKOCZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F.CH3F/c1-6-12-8(2)10(4)13(7-14)11(5)9(12)3;1-2/h6-7H2,1-5H3;1H3.
What are the key properties of 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane?
1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane has a molecular weight of 228.33 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane is sourced from PubChem (CID 91195776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).