[3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane

C19H28F2Si — CID 134951108

IUPAC[3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane
SMILESCc1ccccc1C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H28F2Si/c1-14(2)22(15(3)4,16(5)6)13-12-19(20,21)18-11-9-8-10-17(18)7/h8-11,14-16H,1-7H3
InChIKeyVUHMFRKIIYOHJI-UHFFFAOYSA-N
MW322.51 g/mol
LogP6.31
Rot. Bonds4

About [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane

[3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 134951108) has the molecular formula C19H28F2Si and a molecular weight of 322.51 g/mol. Its IUPAC name is [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane
PubChem CID134951108
Molecular FormulaC19H28F2Si
Molecular Weight322.51 g/mol
Exact Mass322.19
IUPAC Name[3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane
SMILESCc1ccccc1C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H28F2Si/c1-14(2)22(15(3)4,16(5)6)13-12-19(20,21)18-11-9-8-10-17(18)7/h8-11,14-16H,1-7H3
InChIKeyVUHMFRKIIYOHJI-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.51
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane (CID 134951108) is [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane is Cc1ccccc1C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is VUHMFRKIIYOHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2Si/c1-14(2)22(15(3)4,16(5)6)13-12-19(20,21)18-11-9-8-10-17(18)7/h8-11,14-16H,1-7H3.
What are the key properties of [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane?
[3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 322.51 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 134951108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).