(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

C18H17FO2 — CID 122232525

IUPAC(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESF[C@]12CO[C@H](c3ccccc3)C1CO[C@H]2c1ccccc1
InChIInChI=1S/C18H17FO2/c19-18-12-21-16(13-7-3-1-4-8-13)15(18)11-20-17(18)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+,18-/m1/s1
InChIKeyGCPHLNODMAQJLI-HQSKLWIPSA-N
MW284.33 g/mol
LogP3.85
Rot. Bonds2

About (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (PubChem CID 122232525) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.

Molecular Properties

Compound Name(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
PubChem CID122232525
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESF[C@]12CO[C@H](c3ccccc3)C1CO[C@H]2c1ccccc1
InChIInChI=1S/C18H17FO2/c19-18-12-21-16(13-7-3-1-4-8-13)15(18)11-20-17(18)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+,18-/m1/s1
InChIKeyGCPHLNODMAQJLI-HQSKLWIPSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 11492874
(3S,3aR,6R,6aS)-3,6-diphenyl-6a-prop-2-enyl-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
CID 10662521
ethane;2-phenyloxirane
CID 54171856
2-phenyloxirane
CID 7276
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
CID 101101880
diphenyliodanium;ethane;methane
CID 159636739
(2,2-difluorocyclobutyl)benzene
CID 91804683
diphenyliodanium;hydroiodide
CID 54604341
(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
CID 10539775
5,5-dimethyl-2,3-diphenylmorpholine
CID 43174722
(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol
CID 100919670
2-(oxiran-2-yl)-3-phenyloxirane
CID 87255492

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The IUPAC name of (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (CID 122232525) is (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.
What is the SMILES notation for (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The canonical SMILES for (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is F[C@]12CO[C@H](c3ccccc3)C1CO[C@H]2c1ccccc1.
What is the InChIKey of (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The InChIKey is GCPHLNODMAQJLI-HQSKLWIPSA-N. The full InChI is InChI=1S/C18H17FO2/c19-18-12-21-16(13-7-3-1-4-8-13)15(18)11-20-17(18)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15?,16-,17+,18-/m1/s1.
What are the key properties of (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan has a molecular weight of 284.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is sourced from PubChem (CID 122232525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).