bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane

C22H22F10O2Sn — CID 87372428

IUPACbis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane
SMILESFC(F)(F)CCC(F)(F)[Sn](OCc1ccccc1)(OCc1ccccc1)C(F)(F)CCC(F)(F)F
InChIInChI=1S/2C7H7O.2C4H4F5.Sn/c2*8-6-7-4-2-1-3-5-7;2*5-3(6)1-2-4(7,8)9;/h2*1-5H,6H2;2*1-2H2;/q2*-1;;;+2
InChIKeyKRRKAYMPNRYCAM-UHFFFAOYSA-N
MW627.11 g/mol
LogP7.90
Rot. Bonds12

About bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane

bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane (PubChem CID 87372428) has the molecular formula C22H22F10O2Sn and a molecular weight of 627.11 g/mol. Its IUPAC name is bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane.

Molecular Properties

Compound Namebis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane
PubChem CID87372428
Molecular FormulaC22H22F10O2Sn
Molecular Weight627.11 g/mol
Exact Mass628.05
IUPAC Namebis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane
SMILESFC(F)(F)CCC(F)(F)[Sn](OCc1ccccc1)(OCc1ccccc1)C(F)(F)CCC(F)(F)F
InChIInChI=1S/2C7H7O.2C4H4F5.Sn/c2*8-6-7-4-2-1-3-5-7;2*5-3(6)1-2-4(7,8)9;/h2*1-5H,6H2;2*1-2H2;/q2*-1;;;+2
InChIKeyKRRKAYMPNRYCAM-UHFFFAOYSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.11
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
CID 64974455
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane
CID 23115069
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
CID 66734377
CID 66734377
(3-chloro-5,5,5-trifluoro-3-methylpentoxy)methylbenzene
CID 162621053
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802

Frequently Asked Questions

What is the IUPAC name of bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane?
The IUPAC name of bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane (CID 87372428) is bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane.
What is the SMILES notation for bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane?
The canonical SMILES for bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane is FC(F)(F)CCC(F)(F)[Sn](OCc1ccccc1)(OCc1ccccc1)C(F)(F)CCC(F)(F)F.
What is the InChIKey of bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane?
The InChIKey is KRRKAYMPNRYCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7O.2C4H4F5.Sn/c2*8-6-7-4-2-1-3-5-7;2*5-3(6)1-2-4(7,8)9;/h2*1-5H,6H2;2*1-2H2;/q2*-1;;;+2.
What are the key properties of bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane?
bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane has a molecular weight of 627.11 g/mol, XLogP of 7.90, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane is sourced from PubChem (CID 87372428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).