CID 134902885

C17H18F5Si — CID 134902885

IUPAC—
SMILESCC1=C(C)C(C)=C(C)[C]1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H18F5Si/c1-7-8(2)10(4)16(9(7)3)23(5,6)17-14(21)12(19)11(18)13(20)15(17)22/h1-6H3
InChIKeyRCZZJFRFBITCPA-UHFFFAOYSA-N
MW345.41 g/mol
LogP5.10
Rot. Bonds2

About CID 134902885

CID 134902885 (PubChem CID 134902885) has the molecular formula C17H18F5Si and a molecular weight of 345.41 g/mol.

Molecular Properties

Compound NameCID 134902885
PubChem CID134902885
Molecular FormulaC17H18F5Si
Molecular Weight345.41 g/mol
Exact Mass345.11
IUPAC Name—
SMILESCC1=C(C)C(C)=C(C)[C]1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H18F5Si/c1-7-8(2)10(4)16(9(7)3)23(5,6)17-14(21)12(19)11(18)13(20)15(17)22/h1-6H3
InChIKeyRCZZJFRFBITCPA-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134902885?
The IUPAC name of CID 134902885 (CID 134902885) is not available.
What is the SMILES notation for CID 134902885?
The canonical SMILES for CID 134902885 is CC1=C(C)C(C)=C(C)[C]1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of CID 134902885?
The InChIKey is RCZZJFRFBITCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F5Si/c1-7-8(2)10(4)16(9(7)3)23(5,6)17-14(21)12(19)11(18)13(20)15(17)22/h1-6H3.
What are the key properties of CID 134902885?
CID 134902885 has a molecular weight of 345.41 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902885 is sourced from PubChem (CID 134902885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).