CID 157438147

C29H49BrF2N2O2Sn3 — CID 157438147

IUPAC—
SMILESCC(=O)NC(C)c1cc(Br)ccc1F.CC(=O)NC(C)c1cc([Sn](C)(C)C)ccc1F.C[Sn](C)C.C[Sn](C)C
InChIInChI=1S/C10H11BrFNO.C10H11FNO.9CH3.3Sn/c1-6(13-7(2)14)9-5-8(11)3-4-10(9)12;1-7(12-8(2)13)9-5-3-4-6-10(9)11;;;;;;;;;;;;/h3-6H,1-2H3,(H,13,14);4-7H,1-2H3,(H,12,13);9*1H3;;;
InChIKeyBRIRNSMPLJRAME-UHFFFAOYSA-N
MW931.76 g/mol
LogP8.09
Rot. Bonds5

About CID 157438147

CID 157438147 (PubChem CID 157438147) has the molecular formula C29H49BrF2N2O2Sn3 and a molecular weight of 931.76 g/mol.

Molecular Properties

Compound NameCID 157438147
PubChem CID157438147
Molecular FormulaC29H49BrF2N2O2Sn3
Molecular Weight931.76 g/mol
Exact Mass934.00
IUPAC Name—
SMILESCC(=O)NC(C)c1cc(Br)ccc1F.CC(=O)NC(C)c1cc([Sn](C)(C)C)ccc1F.C[Sn](C)C.C[Sn](C)C
InChIInChI=1S/C10H11BrFNO.C10H11FNO.9CH3.3Sn/c1-6(13-7(2)14)9-5-8(11)3-4-10(9)12;1-7(12-8(2)13)9-5-3-4-6-10(9)11;;;;;;;;;;;;/h3-6H,1-2H3,(H,13,14);4-7H,1-2H3,(H,12,13);9*1H3;;;
InChIKeyBRIRNSMPLJRAME-UHFFFAOYSA-N
XLogP8.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.76
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 157438147?
The IUPAC name of CID 157438147 (CID 157438147) is not available.
What is the SMILES notation for CID 157438147?
The canonical SMILES for CID 157438147 is CC(=O)NC(C)c1cc(Br)ccc1F.CC(=O)NC(C)c1cc([Sn](C)(C)C)ccc1F.C[Sn](C)C.C[Sn](C)C.
What is the InChIKey of CID 157438147?
The InChIKey is BRIRNSMPLJRAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO.C10H11FNO.9CH3.3Sn/c1-6(13-7(2)14)9-5-8(11)3-4-10(9)12;1-7(12-8(2)13)9-5-3-4-6-10(9)11;;;;;;;;;;;;/h3-6H,1-2H3,(H,13,14);4-7H,1-2H3,(H,12,13);9*1H3;;;.
What are the key properties of CID 157438147?
CID 157438147 has a molecular weight of 931.76 g/mol, XLogP of 8.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157438147 is sourced from PubChem (CID 157438147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).