(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran

C14H17FO2 — CID 58406095

IUPAC(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran
SMILESCC1COC[C@]2(c3ccccc3F)COC[C@H]12
InChIInChI=1S/C14H17FO2/c1-10-6-16-8-14(9-17-7-12(10)14)11-4-2-3-5-13(11)15/h2-5,10,12H,6-9H2,1H3/t10?,12-,14-/m1/s1
InChIKeyYVXBWJWAQHRRNO-HCGVIMEBSA-N
MW236.29 g/mol
LogP2.38
Rot. Bonds1

About (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran

(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran (PubChem CID 58406095) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran.

Molecular Properties

Compound Name(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran
PubChem CID58406095
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran
SMILESCC1COC[C@]2(c3ccccc3F)COC[C@H]12
InChIInChI=1S/C14H17FO2/c1-10-6-16-8-14(9-17-7-12(10)14)11-4-2-3-5-13(11)15/h2-5,10,12H,6-9H2,1H3/t10?,12-,14-/m1/s1
InChIKeyYVXBWJWAQHRRNO-HCGVIMEBSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran 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

(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 59621298
7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole
CID 70231437
(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
CID 66868946
(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid
CID 123956651
(5S)-5-fluoro-8a-(2-fluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 70229637
(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 143968493
(3aS,5S,6aR)-5-[(3,4-difluorophenyl)methoxy]-3a-(2-fluorophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan
CID 157091197
[3-(2-fluorophenyl)morpholin-3-yl]methanol
CID 105464864
2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169899
tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate
CID 89095567
tert-butyl N-[3-(2-fluorophenyl)-4-(hydroxymethyl)oxolan-3-yl]carbamate
CID 77467008
2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
CID 83820638

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran?
The IUPAC name of (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran (CID 58406095) is (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran.
What is the SMILES notation for (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran?
The canonical SMILES for (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran is CC1COC[C@]2(c3ccccc3F)COC[C@H]12.
What is the InChIKey of (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran?
The InChIKey is YVXBWJWAQHRRNO-HCGVIMEBSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10-6-16-8-14(9-17-7-12(10)14)11-4-2-3-5-13(11)15/h2-5,10,12H,6-9H2,1H3/t10?,12-,14-/m1/s1.
What are the key properties of (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran?
(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran has a molecular weight of 236.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran is sourced from PubChem (CID 58406095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).