2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane

C11H14F2O — CID 142270016

IUPAC2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane
SMILESCC.FC1(F)CC2=C(C=CCC=C2)O1
InChIInChI=1S/C9H8F2O.C2H6/c10-9(11)6-7-4-2-1-3-5-8(7)12-9;1-2/h2-5H,1,6H2;1-2H3
InChIKeyZDBAMVDYLPWLHE-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.80
Rot. Bonds

About 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane

2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane (PubChem CID 142270016) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane.

Molecular Properties

Compound Name2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane
PubChem CID142270016
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane
SMILESCC.FC1(F)CC2=C(C=CCC=C2)O1
InChIInChI=1S/C9H8F2O.C2H6/c10-9(11)6-7-4-2-1-3-5-8(7)12-9;1-2/h2-5H,1,6H2;1-2H3
InChIKeyZDBAMVDYLPWLHE-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-5-(trifluoromethoxy)cyclohepta-1,2,4,6-tetraene
CID 91518121
CID 124086941
CID 124086941
2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran
CID 126591233
(3E,5E,7E,9Z)-6,7-bis(ethenyl)-3-[(2E,4Z)-2-ethenyl-1,1-difluoro-5-methylhepta-2,4,6-trienoxy]-10-methyldodeca-1,3,5,7,9,11-hexaene
CID 132216172
(7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 134318704
(3E,5Z)-5-ethyl-3-(trifluoromethoxy)hepta-1,3,5-triene
CID 134525358
(3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene
CID 134568526
6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan
CID 135128534
(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene
CID 139457574
(3E,5E,7E,9Z)-6,7-bis(ethenyl)-3-[(2E)-2-ethenyl-1,1-difluoro-5-methylhexa-2,4-dienoxy]-10-methyldodeca-1,3,5,7,9,11-hexaene
CID 139519318
1-Methyl-6-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 141850018
2-Methyl-5-(3,3,3-trifluoropropoxy)cyclohepta-1,3,5-triene
CID 142013634

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane?
The IUPAC name of 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane (CID 142270016) is 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane.
What is the SMILES notation for 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane?
The canonical SMILES for 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane is CC.FC1(F)CC2=C(C=CCC=C2)O1.
What is the InChIKey of 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane?
The InChIKey is ZDBAMVDYLPWLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O.C2H6/c10-9(11)6-7-4-2-1-3-5-8(7)12-9;1-2/h2-5H,1,6H2;1-2H3.
What are the key properties of 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane?
2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane has a molecular weight of 200.23 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane is sourced from PubChem (CID 142270016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).