(3,4,4-trifluoro-1,1-dimethoxybutyl)silane

C6H13F3O2Si — CID 173091582

IUPAC(3,4,4-trifluoro-1,1-dimethoxybutyl)silane
SMILESCOC([SiH3])(CC(F)C(F)F)OC
InChIInChI=1S/C6H13F3O2Si/c1-10-6(12,11-2)3-4(7)5(8)9/h4-5H,3H2,1-2,12H3
InChIKeyJMVCEYMMLHLGGL-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.29
Rot. Bonds5

About (3,4,4-trifluoro-1,1-dimethoxybutyl)silane

(3,4,4-trifluoro-1,1-dimethoxybutyl)silane (PubChem CID 173091582) has the molecular formula C6H13F3O2Si and a molecular weight of 202.25 g/mol. Its IUPAC name is (3,4,4-trifluoro-1,1-dimethoxybutyl)silane.

Molecular Properties

Compound Name(3,4,4-trifluoro-1,1-dimethoxybutyl)silane
PubChem CID173091582
Molecular FormulaC6H13F3O2Si
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC Name(3,4,4-trifluoro-1,1-dimethoxybutyl)silane
SMILESCOC([SiH3])(CC(F)C(F)F)OC
InChIInChI=1S/C6H13F3O2Si/c1-10-6(12,11-2)3-4(7)5(8)9/h4-5H,3H2,1-2,12H3
InChIKeyJMVCEYMMLHLGGL-UHFFFAOYSA-N
XLogP0.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3,3-trimethoxy-3-silylpropan-1-amine
CID 152732178
1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine
CID 172996453
(3-isocyanato-1,1,3-trimethoxypropyl)silane
CID 160733039
1,1,3,4,4-pentafluoro-1-iodobutane
CID 150789350
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1,1-dimethoxydecyl)silane
CID 173144574
diethoxy-bis(2,3,3-trifluoropropyl)silane
CID 87383114
1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
1,1,2-trifluoro-3-(trifluoromethoxy)propane
CID 19063472
1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
CID 171647533
1,1,1,4,5,5-hexafluoro-3-methoxypentane
CID 54318379
1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 106676429
3-methoxy-3,5-dimethylhexanal
CID 87292103

Frequently Asked Questions

What is the IUPAC name of (3,4,4-trifluoro-1,1-dimethoxybutyl)silane?
The IUPAC name of (3,4,4-trifluoro-1,1-dimethoxybutyl)silane (CID 173091582) is (3,4,4-trifluoro-1,1-dimethoxybutyl)silane.
What is the SMILES notation for (3,4,4-trifluoro-1,1-dimethoxybutyl)silane?
The canonical SMILES for (3,4,4-trifluoro-1,1-dimethoxybutyl)silane is COC([SiH3])(CC(F)C(F)F)OC.
What is the InChIKey of (3,4,4-trifluoro-1,1-dimethoxybutyl)silane?
The InChIKey is JMVCEYMMLHLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3O2Si/c1-10-6(12,11-2)3-4(7)5(8)9/h4-5H,3H2,1-2,12H3.
What are the key properties of (3,4,4-trifluoro-1,1-dimethoxybutyl)silane?
(3,4,4-trifluoro-1,1-dimethoxybutyl)silane has a molecular weight of 202.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,4-trifluoro-1,1-dimethoxybutyl)silane is sourced from PubChem (CID 173091582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).