(3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

C19H27FO5 — CID 18597821

IUPAC(3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCCC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C19H27FO5/c1-3-7-13-16(21-11-14-12(2)10-15(20)22-14)17-18(23-13)25-19(24-17)8-5-4-6-9-19/h10,13,16-18H,3-9,11H2,1-2H3/t13-,16+,17-,18-/m1/s1
InChIKeyWRRXVJJFNHDPOX-BVPBIZIASA-N
MW354.42 g/mol
LogP4.21
Rot. Bonds5

About (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

(3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 18597821) has the molecular formula C19H27FO5 and a molecular weight of 354.42 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID18597821
Molecular FormulaC19H27FO5
Molecular Weight354.42 g/mol
Exact Mass354.18
IUPAC Name(3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCCC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C19H27FO5/c1-3-7-13-16(21-11-14-12(2)10-15(20)22-14)17-18(23-13)25-19(24-17)8-5-4-6-9-19/h10,13,16-18H,3-9,11H2,1-2H3/t13-,16+,17-,18-/m1/s1
InChIKeyWRRXVJJFNHDPOX-BVPBIZIASA-N
XLogP4.21
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (CID 18597821) is (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is CCC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1oc(F)cc1C.
What is the InChIKey of (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is WRRXVJJFNHDPOX-BVPBIZIASA-N. The full InChI is InChI=1S/C19H27FO5/c1-3-7-13-16(21-11-14-12(2)10-15(20)22-14)17-18(23-13)25-19(24-17)8-5-4-6-9-19/h10,13,16-18H,3-9,11H2,1-2H3/t13-,16+,17-,18-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
(3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 354.42 g/mol, XLogP of 4.21, 5 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-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-propylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 18597821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).