5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

C18H16F2O2 — CID 18728503

IUPAC5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2CC(F)(F)CC12Cc1ccc2ccccc2c1
InChIInChI=1S/C18H16F2O2/c19-18(20)9-15-10-22-16(21)17(15,11-18)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,15H,8-11H2
InChIKeyYUWQWTZZCDXZOI-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.97
Rot. Bonds2

About 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 18728503) has the molecular formula C18H16F2O2 and a molecular weight of 302.32 g/mol. Its IUPAC name is 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID18728503
Molecular FormulaC18H16F2O2
Molecular Weight302.32 g/mol
Exact Mass302.11
IUPAC Name5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2CC(F)(F)CC12Cc1ccc2ccccc2c1
InChIInChI=1S/C18H16F2O2/c19-18(20)9-15-10-22-16(21)17(15,11-18)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,15H,8-11H2
InChIKeyYUWQWTZZCDXZOI-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one with MolForge

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Related Compounds

Bay 367620
CID 9903757
5-Methylidene-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
CID 18728520
(3R,4R)-4-benzyl-3-[[2-(trifluoromethyl)phenyl]methyl]oxolan-2-one
CID 137640506
(3R,4R)-4-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-2-one
CID 137642737
(3R,4R)-4-benzyl-3-[[4-(trifluoromethyl)phenyl]methyl]oxolan-2-one
CID 137647985
(3R,4R)-4-benzyl-3-[(3,4-dimethylphenyl)methyl]oxolan-2-one
CID 137660805
Ethyl 4-(2-naphthyl)butanoate
CID 233196
Ethyl 3,3,3-trifluoro-2-(naphthalen-1-ylmethyl)propanoate
CID 134946543
diethyl 2-[(E,1R)-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-enyl]propanedioate
CID 134955447
7-Hydroxyheptyl 3,3-difluoro-2-naphthalen-2-ylpropanoate
CID 138972616
Cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate
CID 138973248
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl 4-pyren-1-ylbutanoate
CID 139203997

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 18728503) is 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is O=C1OCC2CC(F)(F)CC12Cc1ccc2ccccc2c1.
What is the InChIKey of 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is YUWQWTZZCDXZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O2/c19-18(20)9-15-10-22-16(21)17(15,11-18)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,15H,8-11H2.
What are the key properties of 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 302.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 18728503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).