CID 132501591

C9H11ClFNPd- — CID 132501591

IUPAC—
SMILESCN(C)Cc1[c]cccc1F.[Cl-].[Pd]
InChIInChI=1S/C9H11FN.ClH.Pd/c1-11(2)7-8-5-3-4-6-9(8)10;;/h3-4,6H,7H2,1-2H3;1H;/p-1
InChIKeyKAMJBVHNRWEHAQ-UHFFFAOYSA-M
MW294.06 g/mol
LogP-1.31
Rot. Bonds2

About CID 132501591

CID 132501591 (PubChem CID 132501591) has the molecular formula C9H11ClFNPd- and a molecular weight of 294.06 g/mol.

Molecular Properties

Compound NameCID 132501591
PubChem CID132501591
Molecular FormulaC9H11ClFNPd-
Molecular Weight294.06 g/mol
Exact Mass292.96
IUPAC Name—
SMILESCN(C)Cc1[c]cccc1F.[Cl-].[Pd]
InChIInChI=1S/C9H11FN.ClH.Pd/c1-11(2)7-8-5-3-4-6-9(8)10;;/h3-4,6H,7H2,1-2H3;1H;/p-1
InChIKeyKAMJBVHNRWEHAQ-UHFFFAOYSA-M
XLogP-1.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.06
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
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Frequently Asked Questions

What is the IUPAC name of CID 132501591?
The IUPAC name of CID 132501591 (CID 132501591) is not available.
What is the SMILES notation for CID 132501591?
The canonical SMILES for CID 132501591 is CN(C)Cc1[c]cccc1F.[Cl-].[Pd].
What is the InChIKey of CID 132501591?
The InChIKey is KAMJBVHNRWEHAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11FN.ClH.Pd/c1-11(2)7-8-5-3-4-6-9(8)10;;/h3-4,6H,7H2,1-2H3;1H;/p-1.
What are the key properties of CID 132501591?
CID 132501591 has a molecular weight of 294.06 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132501591 is sourced from PubChem (CID 132501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).