CID 22140680

C11H22F3O2Si — CID 22140680

IUPAC—
SMILESCC(C)[Si](C(C)C)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C9H21Si.C2HF3O2/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7/h7-9H,1-6H3;(H,6,7)
InChIKeyFETOJCOESJYGOX-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds3

About CID 22140680

CID 22140680 (PubChem CID 22140680) has the molecular formula C11H22F3O2Si and a molecular weight of 271.38 g/mol.

Molecular Properties

Compound NameCID 22140680
PubChem CID22140680
Molecular FormulaC11H22F3O2Si
Molecular Weight271.38 g/mol
Exact Mass271.13
IUPAC Name—
SMILESCC(C)[Si](C(C)C)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C9H21Si.C2HF3O2/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7/h7-9H,1-6H3;(H,6,7)
InChIKeyFETOJCOESJYGOX-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[Ethyl(methyl)(3,3,3-trifluoropropyl)silyl]methyl acetate
CID 3670425
Tri(propan-2-yl)silyl 2,2,2-trifluoroacetate
CID 14468081
Tetra(propan-2-yl)silane;2,2,2-trifluoroacetic acid;hydrate
CID 87518726
TFA triethylsilane
CID 131722655
TFA triisopropylsilane
CID 131724268
TFA DCM triisopropylsilane
CID 131724618
TFA H2O Et3SiH
CID 131728328
TFA triisopropylsilane water
CID 131728955
Tributylsilyl 2,2,2-trifluoroacetate
CID 152057395
Bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane;hydrate
CID 172742353
Bis(2,2,2-trifluoroacetic acid);tri(propan-2-yl)silane
CID 172805489
Methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate
CID 173237054

Frequently Asked Questions

What is the IUPAC name of CID 22140680?
The IUPAC name of CID 22140680 (CID 22140680) is not available.
What is the SMILES notation for CID 22140680?
The canonical SMILES for CID 22140680 is CC(C)[Si](C(C)C)C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of CID 22140680?
The InChIKey is FETOJCOESJYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21Si.C2HF3O2/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7/h7-9H,1-6H3;(H,6,7).
What are the key properties of CID 22140680?
CID 22140680 has a molecular weight of 271.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22140680 is sourced from PubChem (CID 22140680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).