(5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene

C18H22FNO4 — CID 139600053

IUPAC(5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene
SMILESC=C(C)[C@H]1CC=C(C)CC12OOCN(c1ccc(F)cc1)COO2
InChIInChI=1S/C18H22FNO4/c1-13(2)17-9-4-14(3)10-18(17)23-21-11-20(12-22-24-18)16-7-5-15(19)6-8-16/h4-8,17H,1,9-12H2,2-3H3/t17-/m1/s1
InChIKeySKSCXNDFHWAMMQ-QGZVFWFLSA-N
MW335.38 g/mol
LogP4.09
Rot. Bonds2

About (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene

(5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene (PubChem CID 139600053) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene.

Molecular Properties

Compound Name(5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene
PubChem CID139600053
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name(5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene
SMILESC=C(C)[C@H]1CC=C(C)CC12OOCN(c1ccc(F)cc1)COO2
InChIInChI=1S/C18H22FNO4/c1-13(2)17-9-4-14(3)10-18(17)23-21-11-20(12-22-24-18)16-7-5-15(19)6-8-16/h4-8,17H,1,9-12H2,2-3H3/t17-/m1/s1
InChIKeySKSCXNDFHWAMMQ-QGZVFWFLSA-N
XLogP4.09
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene 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

10-(4-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455265
11-(4-Fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
CID 138455276
9-(4-Fluorophenyl)-6,7,11,12-tetraoxa-9-azaspiro [4.7]dodecane
CID 138455257
9-(3-Fluorophenyl)-6,7,11,12-tetraoxa-9-azaspiro[4.7]dodecane
CID 138455259
10-(3-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455267
(1s,4r)-10-(4-Fluorophenyl)-4-methyl-1-(propan-2-yl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139600052
(2S,5R)-10-(4-fluorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139204674
4-(4-Fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane
CID 139204678
(1s,4r)-10-(3-Fluorophenyl)-4-methyl-1-(propan-2-yl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139600054
7-(4-Fluorophenyl)-3-hexyl-3-methyl-1,2,4,5,7-tetraoxazocane
CID 167530484
10-(2-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767126
(2R,5S)-10-(2-fluorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 154699255

Frequently Asked Questions

What is the IUPAC name of (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene?
The IUPAC name of (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene (CID 139600053) is (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene.
What is the SMILES notation for (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene?
The canonical SMILES for (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene is C=C(C)[C@H]1CC=C(C)CC12OOCN(c1ccc(F)cc1)COO2.
What is the InChIKey of (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene?
The InChIKey is SKSCXNDFHWAMMQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22FNO4/c1-13(2)17-9-4-14(3)10-18(17)23-21-11-20(12-22-24-18)16-7-5-15(19)6-8-16/h4-8,17H,1,9-12H2,2-3H3/t17-/m1/s1.
What are the key properties of (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene?
(5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene has a molecular weight of 335.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-(4-fluorophenyl)-2-methyl-5-prop-1-en-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridec-2-ene is sourced from PubChem (CID 139600053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).