(3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C15H20ClFO5 — CID 18597740

IUPAC(3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(CF)O[C@@H]2[C@H]1OCc1ccoc1Cl
InChIInChI=1S/C15H20ClFO5/c1-3-4-10-11(19-7-9-5-6-18-13(9)16)12-14(20-10)22-15(2,8-17)21-12/h5-6,10-12,14H,3-4,7-8H2,1-2H3/t10-,11+,12-,14-,15?/m1/s1
InChIKeyQDKDLRADZJIRAY-HYGHHBCGSA-N
MW334.77 g/mol
LogP3.44
Rot. Bonds6

About (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597740) has the molecular formula C15H20ClFO5 and a molecular weight of 334.77 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597740
Molecular FormulaC15H20ClFO5
Molecular Weight334.77 g/mol
Exact Mass334.10
IUPAC Name(3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(CF)O[C@@H]2[C@H]1OCc1ccoc1Cl
InChIInChI=1S/C15H20ClFO5/c1-3-4-10-11(19-7-9-5-6-18-13(9)16)12-14(20-10)22-15(2,8-17)21-12/h5-6,10-12,14H,3-4,7-8H2,1-2H3/t10-,11+,12-,14-,15?/m1/s1
InChIKeyQDKDLRADZJIRAY-HYGHHBCGSA-N
XLogP3.44
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597740) is (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCC[C@H]1O[C@@H]2OC(C)(CF)O[C@@H]2[C@H]1OCc1ccoc1Cl.
What is the InChIKey of (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is QDKDLRADZJIRAY-HYGHHBCGSA-N. The full InChI is InChI=1S/C15H20ClFO5/c1-3-4-10-11(19-7-9-5-6-18-13(9)16)12-14(20-10)22-15(2,8-17)21-12/h5-6,10-12,14H,3-4,7-8H2,1-2H3/t10-,11+,12-,14-,15?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 334.77 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-6-[(2-chlorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).