CID 172768511

C6H10Cl2F3O2Sn — CID 172768511

IUPAC—
SMILESCCCC[Sn](Cl)Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9.C2HF3O2.2ClH.Sn/c1-3-4-2;3-2(4,5)1(6)7;;;/h1,3-4H2,2H3;(H,6,7);2*1H;/q;;;;+2/p-2
InChIKeyMQGQDVQLYCVWNW-UHFFFAOYSA-L
MW360.76 g/mol
LogP3.39
Rot. Bonds3

About CID 172768511

CID 172768511 (PubChem CID 172768511) has the molecular formula C6H10Cl2F3O2Sn and a molecular weight of 360.76 g/mol.

Molecular Properties

Compound NameCID 172768511
PubChem CID172768511
Molecular FormulaC6H10Cl2F3O2Sn
Molecular Weight360.76 g/mol
Exact Mass360.90
IUPAC Name—
SMILESCCCC[Sn](Cl)Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9.C2HF3O2.2ClH.Sn/c1-3-4-2;3-2(4,5)1(6)7;;;/h1,3-4H2,2H3;(H,6,7);2*1H;/q;;;;+2/p-2
InChIKeyMQGQDVQLYCVWNW-UHFFFAOYSA-L
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 172768511?
The IUPAC name of CID 172768511 (CID 172768511) is not available.
What is the SMILES notation for CID 172768511?
The canonical SMILES for CID 172768511 is CCCC[Sn](Cl)Cl.O=C(O)C(F)(F)F.
What is the InChIKey of CID 172768511?
The InChIKey is MQGQDVQLYCVWNW-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9.C2HF3O2.2ClH.Sn/c1-3-4-2;3-2(4,5)1(6)7;;;/h1,3-4H2,2H3;(H,6,7);2*1H;/q;;;;+2/p-2.
What are the key properties of CID 172768511?
CID 172768511 has a molecular weight of 360.76 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172768511 is sourced from PubChem (CID 172768511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).