4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile

C34H58F3NSn2 — CID 44518745

IUPAC4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C(/C(F)(F)F)[Sn](CCCC)(CCCC)CCCC)c1ccc(C#N)cc1
InChIInChI=1S/C10H4F3N.6C4H9.2Sn/c11-10(12,13)6-5-8-1-3-9(7-14)4-2-8;6*1-3-4-2;;/h1-4H;6*1,3-4H2,2H3;;
InChIKeyLVCCUQIQUCFYJK-UHFFFAOYSA-N
MW775.26 g/mol
LogP12.65
Rot. Bonds21

About 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile

4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile (PubChem CID 44518745) has the molecular formula C34H58F3NSn2 and a molecular weight of 775.26 g/mol. Its IUPAC name is 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile
PubChem CID44518745
Molecular FormulaC34H58F3NSn2
Molecular Weight775.26 g/mol
Exact Mass777.26
IUPAC Name4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C(/C(F)(F)F)[Sn](CCCC)(CCCC)CCCC)c1ccc(C#N)cc1
InChIInChI=1S/C10H4F3N.6C4H9.2Sn/c11-10(12,13)6-5-8-1-3-9(7-14)4-2-8;6*1-3-4-2;;/h1-4H;6*1,3-4H2,2H3;;
InChIKeyLVCCUQIQUCFYJK-UHFFFAOYSA-N
XLogP12.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.26
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile?
The IUPAC name of 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile (CID 44518745) is 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile?
The canonical SMILES for 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile is CCCC[Sn](CCCC)(CCCC)/C(=C(/C(F)(F)F)[Sn](CCCC)(CCCC)CCCC)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile?
The InChIKey is LVCCUQIQUCFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N.6C4H9.2Sn/c11-10(12,13)6-5-8-1-3-9(7-14)4-2-8;6*1-3-4-2;;/h1-4H;6*1,3-4H2,2H3;;.
What are the key properties of 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile?
4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile has a molecular weight of 775.26 g/mol, XLogP of 12.65, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile is sourced from PubChem (CID 44518745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).