2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite

C19H24F2O — CID 91109245

IUPAC2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite
SMILESCc1cc(C)c(CF)c(C)c1.Cc1cc(OF)cc(C)c1C
InChIInChI=1S/C10H13F.C9H11FO/c1-7-4-8(2)10(6-11)9(3)5-7;1-6-4-9(11-10)5-7(2)8(6)3/h4-5H,6H2,1-3H3;4-5H,1-3H3
InChIKeyNLHXQWPMGMVVDP-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.96
Rot. Bonds2

About 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite

2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite (PubChem CID 91109245) has the molecular formula C19H24F2O and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite
PubChem CID91109245
Molecular FormulaC19H24F2O
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite
SMILESCc1cc(C)c(CF)c(C)c1.Cc1cc(OF)cc(C)c1C
InChIInChI=1S/C10H13F.C9H11FO/c1-7-4-8(2)10(6-11)9(3)5-7;1-6-4-9(11-10)5-7(2)8(6)3/h4-5H,6H2,1-3H3;4-5H,1-3H3
InChIKeyNLHXQWPMGMVVDP-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite?
The IUPAC name of 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite (CID 91109245) is 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite.
What is the SMILES notation for 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite?
The canonical SMILES for 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite is Cc1cc(C)c(CF)c(C)c1.Cc1cc(OF)cc(C)c1C.
What is the InChIKey of 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite?
The InChIKey is NLHXQWPMGMVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C9H11FO/c1-7-4-8(2)10(6-11)9(3)5-7;1-6-4-9(11-10)5-7(2)8(6)3/h4-5H,6H2,1-3H3;4-5H,1-3H3.
What are the key properties of 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite?
2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite has a molecular weight of 306.40 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3,5-trimethylbenzene;(3,4,5-trimethylphenyl) hypofluorite is sourced from PubChem (CID 91109245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).