(3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C16H19F2NO — CID 156837799

IUPAC(3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESFC1(F)C[C@H](N2C[C@H]3COC[C@H]3C2)Cc2ccccc21
InChIInChI=1S/C16H19F2NO/c17-16(18)6-14(5-11-3-1-2-4-15(11)16)19-7-12-9-20-10-13(12)8-19/h1-4,12-14H,5-10H2/t12-,13+,14-/m1/s1
InChIKeyFYJLLAZPIMBDBP-HZSPNIEDSA-N
MW279.33 g/mol
LogP2.67
Rot. Bonds1

About (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

(3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 156837799) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID156837799
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name(3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESFC1(F)C[C@H](N2C[C@H]3COC[C@H]3C2)Cc2ccccc21
InChIInChI=1S/C16H19F2NO/c17-16(18)6-14(5-11-3-1-2-4-15(11)16)19-7-12-9-20-10-13(12)8-19/h1-4,12-14H,5-10H2/t12-,13+,14-/m1/s1
InChIKeyFYJLLAZPIMBDBP-HZSPNIEDSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 156837949
7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
CID 168862881
3,3-difluoro-1,2-dihydroindene-1-carboxylic acid
CID 83853596
(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine
CID 118550578
1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 45094601
tert-butyl 7-(2-ethylphenyl)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958764
N-[(3S,4R)-4-cyclopropyl-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 133126083
8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 163236345
spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine
CID 123819052
1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole
CID 91019399
9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958786
(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
CID 174934664

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 156837799) is (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is FC1(F)C[C@H](N2C[C@H]3COC[C@H]3C2)Cc2ccccc21.
What is the InChIKey of (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is FYJLLAZPIMBDBP-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H19F2NO/c17-16(18)6-14(5-11-3-1-2-4-15(11)16)19-7-12-9-20-10-13(12)8-19/h1-4,12-14H,5-10H2/t12-,13+,14-/m1/s1.
What are the key properties of (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
(3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 279.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-[(2R)-4,4-difluoro-2,3-dihydro-1H-naphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 156837799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).