2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid

C9H15F3O2Si — CID 87921366

IUPAC2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid
SMILESC=C(C[Si](C)(C)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H15F3O2Si/c1-7(8(13)14)6-15(2,3)5-4-9(10,11)12/h1,4-6H2,2-3H3,(H,13,14)
InChIKeyKRVCHXRNDGTIFZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.29
Rot. Bonds5

About 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid

2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid (PubChem CID 87921366) has the molecular formula C9H15F3O2Si and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid
PubChem CID87921366
Molecular FormulaC9H15F3O2Si
Molecular Weight240.30 g/mol
Exact Mass240.08
IUPAC Name2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid
SMILESC=C(C[Si](C)(C)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H15F3O2Si/c1-7(8(13)14)6-15(2,3)5-4-9(10,11)12/h1,4-6H2,2-3H3,(H,13,14)
InChIKeyKRVCHXRNDGTIFZ-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-bis(3,3,3-trifluoropropyl)silane
CID 139788750
12,12,12-trifluoro-2-methylidenedodecanoic acid
CID 150365035
6-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]-2-methylidenehexanoic acid
CID 19816645
phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid
CID 157210793
tert-butyl 2-(trimethylsilylmethyl)prop-2-enoate;2-(trimethylsilylmethyl)prop-2-enoic acid
CID 161226856
2-[(2,2-difluoropropylamino)methyl]prop-2-enoic acid
CID 163461413
trifluoro(3,3,3-trifluoropropyl)silane
CID 10976113
dichloro-methyl-(3,3,3-trifluoropropyl)silane
CID 159011444
dichloro-methyl-(3,3,3-trifluoropropyl)silane
CID 12666
5,5,5-trifluoro-4-hydroxy-2-methylidene-4-(trifluoromethyl)pentanoic acid
CID 58823536
2-[[3-(7,7,8,8,8-pentafluorooctyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enoic acid
CID 156545621
hydroxy-dimethyl-(4,4,4-trifluorobutyl)silane
CID 140692013

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid (CID 87921366) is 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid is C=C(C[Si](C)(C)CCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid?
The InChIKey is KRVCHXRNDGTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2Si/c1-7(8(13)14)6-15(2,3)5-4-9(10,11)12/h1,4-6H2,2-3H3,(H,13,14).
What are the key properties of 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid?
2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid is sourced from PubChem (CID 87921366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).