6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene

C11H15FO — CID 89247366

IUPAC6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC1=CC2=C(CC(C)CO2)CC1F
InChIInChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h4,7,10H,3,5-6H2,1-2H3
InChIKeyLBUWQEHXBOUKFL-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.98
Rot. Bonds

About 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene

6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 89247366) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
PubChem CID89247366
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC1=CC2=C(CC(C)CO2)CC1F
InChIInChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h4,7,10H,3,5-6H2,1-2H3
InChIKeyLBUWQEHXBOUKFL-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene (CID 89247366) is 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene is CC1=CC2=C(CC(C)CO2)CC1F.
What is the InChIKey of 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is LBUWQEHXBOUKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-7-3-9-5-10(12)8(2)4-11(9)13-6-7/h4,7,10H,3,5-6H2,1-2H3.
What are the key properties of 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene?
6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 182.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 89247366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).