4-(3-fluorophenyl)-2,2-dimethylchromene

C17H15FO — CID 10634686

IUPAC4-(3-fluorophenyl)-2,2-dimethylchromene
SMILESCC1(C)C=C(c2cccc(F)c2)c2ccccc2O1
InChIInChI=1S/C17H15FO/c1-17(2)11-15(12-6-5-7-13(18)10-12)14-8-3-4-9-16(14)19-17/h3-11H,1-2H3
InChIKeyDSQIQYBXNTUHFK-UHFFFAOYSA-N
MW254.30 g/mol
LogP4.43
Rot. Bonds1

About 4-(3-fluorophenyl)-2,2-dimethylchromene

4-(3-fluorophenyl)-2,2-dimethylchromene (PubChem CID 10634686) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2,2-dimethylchromene.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2,2-dimethylchromene
PubChem CID10634686
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name4-(3-fluorophenyl)-2,2-dimethylchromene
SMILESCC1(C)C=C(c2cccc(F)c2)c2ccccc2O1
InChIInChI=1S/C17H15FO/c1-17(2)11-15(12-6-5-7-13(18)10-12)14-8-3-4-9-16(14)19-17/h3-11H,1-2H3
InChIKeyDSQIQYBXNTUHFK-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2,2-dimethylchromene?
The IUPAC name of 4-(3-fluorophenyl)-2,2-dimethylchromene (CID 10634686) is 4-(3-fluorophenyl)-2,2-dimethylchromene.
What is the SMILES notation for 4-(3-fluorophenyl)-2,2-dimethylchromene?
The canonical SMILES for 4-(3-fluorophenyl)-2,2-dimethylchromene is CC1(C)C=C(c2cccc(F)c2)c2ccccc2O1.
What is the InChIKey of 4-(3-fluorophenyl)-2,2-dimethylchromene?
The InChIKey is DSQIQYBXNTUHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-17(2)11-15(12-6-5-7-13(18)10-12)14-8-3-4-9-16(14)19-17/h3-11H,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-2,2-dimethylchromene?
4-(3-fluorophenyl)-2,2-dimethylchromene has a molecular weight of 254.30 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2,2-dimethylchromene is sourced from PubChem (CID 10634686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).