CID 160957526

C41H185F3N8No3 — CID 160957526

IUPAC—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[3H]NF.[3H]NF.[3H]NF.[No].[No].[No]
InChIInChI=1S/41CH4.3FH2N.5H3N.3No/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*1-2;;;;;;;;/h41*1H4;3*2H2;5*1H3;;;/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*2T;;;;;;;;/hD5
InChIKeySWOWXZOIMNLRCH-NSNAHZLLSA-N
MW1636.04 g/mol
LogP26.38
Rot. Bonds

About CID 160957526

CID 160957526 (PubChem CID 160957526) has the molecular formula C41H185F3N8No3 and a molecular weight of 1636.04 g/mol.

Molecular Properties

Compound NameCID 160957526
PubChem CID160957526
Molecular FormulaC41H185F3N8No3
Molecular Weight1636.04 g/mol
Exact Mass1635.83
IUPAC Name—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[3H]NF.[3H]NF.[3H]NF.[No].[No].[No]
InChIInChI=1S/41CH4.3FH2N.5H3N.3No/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*1-2;;;;;;;;/h41*1H4;3*2H2;5*1H3;;;/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*2T;;;;;;;;/hD5
InChIKeySWOWXZOIMNLRCH-NSNAHZLLSA-N
XLogP26.38
TPSA253.06 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.04
LogP ≤ 526.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 160957526?
The IUPAC name of CID 160957526 (CID 160957526) is not available.
What is the SMILES notation for CID 160957526?
The canonical SMILES for CID 160957526 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[3H]NF.[3H]NF.[3H]NF.[No].[No].[No].
What is the InChIKey of CID 160957526?
The InChIKey is SWOWXZOIMNLRCH-NSNAHZLLSA-N. The full InChI is InChI=1S/41CH4.3FH2N.5H3N.3No/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*1-2;;;;;;;;/h41*1H4;3*2H2;5*1H3;;;/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*2T;;;;;;;;/hD5.
What are the key properties of CID 160957526?
CID 160957526 has a molecular weight of 1636.04 g/mol, XLogP of 26.38, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160957526 is sourced from PubChem (CID 160957526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).