6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene

C23H37F3OSn — CID 161409175

IUPAC6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene
SMILESC=Cc1cc(F)cc(OC(F)F)c1.CCCCC([SnH3])=C(CCCC)CCCC
InChIInChI=1S/C14H27.C9H7F3O.Sn.3H/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;1-2-6-3-7(10)5-8(4-6)13-9(11)12;;;;/h4-12H2,1-3H3;2-5,9H,1H2;;;;
InChIKeyZRLQPHMTNBNKIS-UHFFFAOYSA-N
MW505.25 g/mol
LogP7.25
Rot. Bonds12

About 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene

6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene (PubChem CID 161409175) has the molecular formula C23H37F3OSn and a molecular weight of 505.25 g/mol. Its IUPAC name is 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene.

Molecular Properties

Compound Name6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene
PubChem CID161409175
Molecular FormulaC23H37F3OSn
Molecular Weight505.25 g/mol
Exact Mass506.18
IUPAC Name6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene
SMILESC=Cc1cc(F)cc(OC(F)F)c1.CCCCC([SnH3])=C(CCCC)CCCC
InChIInChI=1S/C14H27.C9H7F3O.Sn.3H/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;1-2-6-3-7(10)5-8(4-6)13-9(11)12;;;;/h4-12H2,1-3H3;2-5,9H,1H2;;;;
InChIKeyZRLQPHMTNBNKIS-UHFFFAOYSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.25
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene 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

1-ethenyl-3-ethoxy-5-fluorobenzene
CID 118268941
1-(difluoromethyl)-3-ethenyl-5-fluorobenzene
CID 155293606
1-ethenyl-3-fluoro-5-propylbenzene
CID 118269346
5-[[3-(difluoromethoxy)-5-fluorophenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599008
3-(difluoromethoxy)-5-fluoroaniline
CID 122199503
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
Lithium 1-(3-difluoromethoxy-5-fluorophenyl)-4-ethoxy-3,4-dioxobut-1-en-1-olate
CID 131735133
ethyl 2-(3,5-difluorophenoxy)hexanoate
CID 134817597
N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide
CID 171382844
1-[3-(difluoromethoxy)-5-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 134629986
2-[2-[4-(difluoromethoxy)phenyl]ethynyl]-5-ethenyl-1,3-difluorobenzene
CID 71402760
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 97294401

Frequently Asked Questions

What is the IUPAC name of 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene?
The IUPAC name of 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene (CID 161409175) is 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene.
What is the SMILES notation for 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene?
The canonical SMILES for 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene is C=Cc1cc(F)cc(OC(F)F)c1.CCCCC([SnH3])=C(CCCC)CCCC.
What is the InChIKey of 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene?
The InChIKey is ZRLQPHMTNBNKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27.C9H7F3O.Sn.3H/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;1-2-6-3-7(10)5-8(4-6)13-9(11)12;;;;/h4-12H2,1-3H3;2-5,9H,1H2;;;;.
What are the key properties of 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene?
6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene has a molecular weight of 505.25 g/mol, XLogP of 7.25, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene is sourced from PubChem (CID 161409175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).