CID 173435590

C7H12F3Si — CID 173435590

IUPAC—
SMILESCC=C(C)C([SiH2])CC(F)(F)F
InChIInChI=1S/C7H12F3Si/c1-3-5(2)6(11)4-7(8,9)10/h3,6H,4,11H2,1-2H3
InChIKeyVUPKTPIUJCPCNT-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.33
Rot. Bonds2

About CID 173435590

CID 173435590 (PubChem CID 173435590) has the molecular formula C7H12F3Si and a molecular weight of 181.25 g/mol.

Molecular Properties

Compound NameCID 173435590
PubChem CID173435590
Molecular FormulaC7H12F3Si
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name—
SMILESCC=C(C)C([SiH2])CC(F)(F)F
InChIInChI=1S/C7H12F3Si/c1-3-5(2)6(11)4-7(8,9)10/h3,6H,4,11H2,1-2H3
InChIKeyVUPKTPIUJCPCNT-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173435590 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

1,1,1-trifluoro-3-methylpent-3-en-2-ol
CID 123714534
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine
CID 142547623
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
4-methylhex-4-en-3-amine
CID 123973735
1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
CID 142114601
(E)-6,6,6-trifluoro-3-methylhex-2-ene
CID 153363460
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161

Frequently Asked Questions

What is the IUPAC name of CID 173435590?
The IUPAC name of CID 173435590 (CID 173435590) is not available.
What is the SMILES notation for CID 173435590?
The canonical SMILES for CID 173435590 is CC=C(C)C([SiH2])CC(F)(F)F.
What is the InChIKey of CID 173435590?
The InChIKey is VUPKTPIUJCPCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3Si/c1-3-5(2)6(11)4-7(8,9)10/h3,6H,4,11H2,1-2H3.
What are the key properties of CID 173435590?
CID 173435590 has a molecular weight of 181.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173435590 is sourced from PubChem (CID 173435590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).