2H-chromene;fluoromethane

C10H11FO — CID 88608923

IUPAC2H-chromene;fluoromethane
SMILESC1=Cc2ccccc2OC1.CF
InChIInChI=1S/C9H8O.CH3F/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-6H,7H2;1H3
InChIKeyLDIBPHAJRKHGDX-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.68
Rot. Bonds

About 2H-chromene;fluoromethane

2H-chromene;fluoromethane (PubChem CID 88608923) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 2H-chromene;fluoromethane.

Molecular Properties

Compound Name2H-chromene;fluoromethane
PubChem CID88608923
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name2H-chromene;fluoromethane
SMILESC1=Cc2ccccc2OC1.CF
InChIInChI=1S/C9H8O.CH3F/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-6H,7H2;1H3
InChIKeyLDIBPHAJRKHGDX-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;fluoromethane?
The IUPAC name of 2H-chromene;fluoromethane (CID 88608923) is 2H-chromene;fluoromethane.
What is the SMILES notation for 2H-chromene;fluoromethane?
The canonical SMILES for 2H-chromene;fluoromethane is C1=Cc2ccccc2OC1.CF.
What is the InChIKey of 2H-chromene;fluoromethane?
The InChIKey is LDIBPHAJRKHGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.CH3F/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-6H,7H2;1H3.
What are the key properties of 2H-chromene;fluoromethane?
2H-chromene;fluoromethane has a molecular weight of 166.19 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;fluoromethane is sourced from PubChem (CID 88608923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).