3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane

C10H12F2O — CID 178110962

IUPAC3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane
SMILESC.FC1(F)COC2=CC=CCC=C21
InChIInChI=1S/C9H8F2O.CH4/c10-9(11)6-12-8-5-3-1-2-4-7(8)9;/h1,3-5H,2,6H2;1H4
InChIKeyGIJGEDNAMLTLGL-UHFFFAOYSA-N
MW186.20 g/mol
LogP3.06
Rot. Bonds

About 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane

3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane (PubChem CID 178110962) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane.

Molecular Properties

Compound Name3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane
PubChem CID178110962
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane
SMILESC.FC1(F)COC2=CC=CCC=C21
InChIInChI=1S/C9H8F2O.CH4/c10-9(11)6-12-8-5-3-1-2-4-7(8)9;/h1,3-5H,2,6H2;1H4
InChIKeyGIJGEDNAMLTLGL-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
5-(1,1-difluoropropyl)-3-methyl-2-[(1E)-4-methyl-3-methylidene-1-propan-2-yloxypenta-1,4-dienyl]cyclohepta-1,3,5-triene
CID 132127195
6-fluoro-3,5-dihydro-2H-cyclohepta[b]furan
CID 135128534
(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene
CID 139457574
2-Methyl-5-(3,3,3-trifluoropropoxy)cyclohepta-1,3,5-triene
CID 142013634
2,2-Difluoro-3,6-dihydrocyclohepta[b]furan;ethane
CID 142270016
2-(Difluoromethoxy)-1-methylcyclohepta-1,3,5-triene
CID 142939398
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan
CID 143149835
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan
CID 143149849
Ethane;4-ethyl-2-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene
CID 143342885
3-Ethyl-2-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 143595015
2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
CID 143598103

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane?
The IUPAC name of 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane (CID 178110962) is 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane.
What is the SMILES notation for 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane?
The canonical SMILES for 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane is C.FC1(F)COC2=CC=CCC=C21.
What is the InChIKey of 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane?
The InChIKey is GIJGEDNAMLTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O.CH4/c10-9(11)6-12-8-5-3-1-2-4-7(8)9;/h1,3-5H,2,6H2;1H4.
What are the key properties of 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane?
3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane has a molecular weight of 186.20 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,5-dihydrocyclohepta[b]furan;methane is sourced from PubChem (CID 178110962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).