(2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene

C15H19FO2 — CID 135043508

IUPAC(2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(F)ccc1OC2(C)C
InChIInChI=1S/C15H19FO2/c1-9-4-6-12-14(17-9)11-8-10(16)5-7-13(11)18-15(12,2)3/h5,7-9,12,14H,4,6H2,1-3H3/t9-,12-,14+/m1/s1
InChIKeyPPAVETXAWWGVPB-IUPBHXKESA-N
MW250.31 g/mol
LogP3.85
Rot. Bonds

About (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene

(2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene (PubChem CID 135043508) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene.

Molecular Properties

Compound Name(2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
PubChem CID135043508
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(F)ccc1OC2(C)C
InChIInChI=1S/C15H19FO2/c1-9-4-6-12-14(17-9)11-8-10(16)5-7-13(11)18-15(12,2)3/h5,7-9,12,14H,4,6H2,1-3H3/t9-,12-,14+/m1/s1
InChIKeyPPAVETXAWWGVPB-IUPBHXKESA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene 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

L-759,633
CID 5311215
Jwh-229
CID 44581105
(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran
CID 15114753
3-(6-Fluoro-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 44374834
6,6,9-Trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 44375198
2-Methyl-2-(4-methylpentyl)-3,4-dihydrochromen-5-ol
CID 89944057
O-Methyl-delta-9 tetrahydrocannabinol
CID 3082445
Isoflavan
CID 500472
2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 3490799
3-methyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 11858753
1-Methoxy-6-phenyl-6H-benzo[c]chromene
CID 44305900
1-Isopropyl-2-[3-(3-methoxyphenoxy)propoxy]benzene
CID 2251897

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The IUPAC name of (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene (CID 135043508) is (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene.
What is the SMILES notation for (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The canonical SMILES for (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene is C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(F)ccc1OC2(C)C.
What is the InChIKey of (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The InChIKey is PPAVETXAWWGVPB-IUPBHXKESA-N. The full InChI is InChI=1S/C15H19FO2/c1-9-4-6-12-14(17-9)11-8-10(16)5-7-13(11)18-15(12,2)3/h5,7-9,12,14H,4,6H2,1-3H3/t9-,12-,14+/m1/s1.
What are the key properties of (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
(2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene has a molecular weight of 250.31 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,10bR)-9-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene is sourced from PubChem (CID 135043508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).