2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan

C11H12F2O — CID 143598103

IUPAC2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
SMILESCC1(C)C=CC2=C(C=C1)OC(F)(F)C2
InChIInChI=1S/C11H12F2O/c1-10(2)5-3-8-7-11(12,13)14-9(8)4-6-10/h3-6H,7H2,1-2H3
InChIKeyHSPBWNOIKYBBNQ-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.41
Rot. Bonds

About 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan

2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan (PubChem CID 143598103) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan.

Molecular Properties

Compound Name2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
PubChem CID143598103
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
SMILESCC1(C)C=CC2=C(C=C1)OC(F)(F)C2
InChIInChI=1S/C11H12F2O/c1-10(2)5-3-8-7-11(12,13)14-9(8)4-6-10/h3-6H,7H2,1-2H3
InChIKeyHSPBWNOIKYBBNQ-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
CID 143542265
7,7-dimethyl-4H-cyclohepta[b]pyran
CID 163798911
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane
CID 143072426
(2S)-2,6,6-trimethyl-2,3-dihydrocyclohepta[b]furan
CID 154685717
6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
CID 155716963
10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 139569197
6,6,14,14-tetramethyl-2-azatricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene
CID 145008572
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
7,7-dimethyl-2,3-dihydrocyclohepta[b][1,4]oxathiine
CID 143422485
6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine
CID 155204466
4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol
CID 142065636

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan?
The IUPAC name of 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan (CID 143598103) is 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan.
What is the SMILES notation for 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan?
The canonical SMILES for 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan is CC1(C)C=CC2=C(C=C1)OC(F)(F)C2.
What is the InChIKey of 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan?
The InChIKey is HSPBWNOIKYBBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-10(2)5-3-8-7-11(12,13)14-9(8)4-6-10/h3-6H,7H2,1-2H3.
What are the key properties of 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan?
2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan has a molecular weight of 198.21 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan is sourced from PubChem (CID 143598103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).