(4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite

C8H9FO — CID 142204515

IUPAC(4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite
SMILESCC1=CC=CC(OF)C=C1
InChIInChI=1S/C8H9FO/c1-7-3-2-4-8(10-9)6-5-7/h2-6,8H,1H3
InChIKeyHZMAYVPLHUYUQC-UHFFFAOYSA-N
MW140.16 g/mol
LogP2.33
Rot. Bonds1

About (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite

(4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite (PubChem CID 142204515) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite.

Molecular Properties

Compound Name(4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite
PubChem CID142204515
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name(4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite
SMILESCC1=CC=CC(OF)C=C1
InChIInChI=1S/C8H9FO/c1-7-3-2-4-8(10-9)6-5-7/h2-6,8H,1H3
InChIKeyHZMAYVPLHUYUQC-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite?
The IUPAC name of (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite (CID 142204515) is (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite.
What is the SMILES notation for (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite?
The canonical SMILES for (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite is CC1=CC=CC(OF)C=C1.
What is the InChIKey of (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite?
The InChIKey is HZMAYVPLHUYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c1-7-3-2-4-8(10-9)6-5-7/h2-6,8H,1H3.
What are the key properties of (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite?
(4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite has a molecular weight of 140.16 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohepta-2,4,6-trien-1-yl) hypofluorite is sourced from PubChem (CID 142204515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).