7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene

C11H12ClFO — CID 171787942

IUPAC7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(F)c(Cl)cc2O1
InChIInChI=1S/C11H12ClFO/c1-11(2)4-3-7-5-9(13)8(12)6-10(7)14-11/h5-6H,3-4H2,1-2H3
InChIKeyPGKNOVCLANSFRR-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.58
Rot. Bonds

About 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene

7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 171787942) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
PubChem CID171787942
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(F)c(Cl)cc2O1
InChIInChI=1S/C11H12ClFO/c1-11(2)4-3-7-5-9(13)8(12)6-10(7)14-11/h5-6H,3-4H2,1-2H3
InChIKeyPGKNOVCLANSFRR-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene (CID 171787942) is 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene is CC1(C)CCc2cc(F)c(Cl)cc2O1.
What is the InChIKey of 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is PGKNOVCLANSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-11(2)4-3-7-5-9(13)8(12)6-10(7)14-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene?
7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 214.67 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 171787942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).