CID 170680221

C16H18ClFN2O3 — CID 170680221

IUPAC—
SMILESO=C1Nc2ccc(Cl)c(F)c2[C@@]2(CNCC3(CCOCC3)C2)O1
InChIInChI=1S/C16H18ClFN2O3/c17-10-1-2-11-12(13(10)18)16(23-14(21)20-11)7-15(8-19-9-16)3-5-22-6-4-15/h1-2,19H,3-9H2,(H,20,21)/t16-/m1/s1
InChIKeyZELNRSYXKVBNFW-MRXNPFEDSA-N
MW340.78 g/mol
LogP3.03
Rot. Bonds

About CID 170680221

CID 170680221 (PubChem CID 170680221) has the molecular formula C16H18ClFN2O3 and a molecular weight of 340.78 g/mol.

Molecular Properties

Compound NameCID 170680221
PubChem CID170680221
Molecular FormulaC16H18ClFN2O3
Molecular Weight340.78 g/mol
Exact Mass340.10
IUPAC Name—
SMILESO=C1Nc2ccc(Cl)c(F)c2[C@@]2(CNCC3(CCOCC3)C2)O1
InChIInChI=1S/C16H18ClFN2O3/c17-10-1-2-11-12(13(10)18)16(23-14(21)20-11)7-15(8-19-9-16)3-5-22-6-4-15/h1-2,19H,3-9H2,(H,20,21)/t16-/m1/s1
InChIKeyZELNRSYXKVBNFW-MRXNPFEDSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 170680221?
The IUPAC name of CID 170680221 (CID 170680221) is not available.
What is the SMILES notation for CID 170680221?
The canonical SMILES for CID 170680221 is O=C1Nc2ccc(Cl)c(F)c2[C@@]2(CNCC3(CCOCC3)C2)O1.
What is the InChIKey of CID 170680221?
The InChIKey is ZELNRSYXKVBNFW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18ClFN2O3/c17-10-1-2-11-12(13(10)18)16(23-14(21)20-11)7-15(8-19-9-16)3-5-22-6-4-15/h1-2,19H,3-9H2,(H,20,21)/t16-/m1/s1.
What are the key properties of CID 170680221?
CID 170680221 has a molecular weight of 340.78 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170680221 is sourced from PubChem (CID 170680221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).