7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene

C11H14F2O — CID 58234123

IUPAC7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCC1=CC2CCC(C)OC2C(F)=C1F
InChIInChI=1S/C11H14F2O/c1-6-5-8-4-3-7(2)14-11(8)10(13)9(6)12/h5,7-8,11H,3-4H2,1-2H3
InChIKeySKVLYZQHYKXVDN-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.28
Rot. Bonds

About 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene

7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene (PubChem CID 58234123) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene
PubChem CID58234123
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCC1=CC2CCC(C)OC2C(F)=C1F
InChIInChI=1S/C11H14F2O/c1-6-5-8-4-3-7(2)14-11(8)10(13)9(6)12/h5,7-8,11H,3-4H2,1-2H3
InChIKeySKVLYZQHYKXVDN-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene?
The IUPAC name of 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene (CID 58234123) is 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene is CC1=CC2CCC(C)OC2C(F)=C1F.
What is the InChIKey of 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene?
The InChIKey is SKVLYZQHYKXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-6-5-8-4-3-7(2)14-11(8)10(13)9(6)12/h5,7-8,11H,3-4H2,1-2H3.
What are the key properties of 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene?
7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene has a molecular weight of 200.23 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene is sourced from PubChem (CID 58234123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).