CID 58466032

C21H19F6N — CID 58466032

IUPAC—
SMILES[CH][C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(C)ccc2C(F)(F)F)C1
InChIInChI=1S/C21H19F6N/c1-13-3-8-18(21(25,26)27)16(9-13)12-28-11-14(2)10-19(28)15-4-6-17(7-5-15)20(22,23)24/h2-9,14,19H,10-12H2,1H3/t14-,19-/m1/s1
InChIKeyVYTLWOITMFVISI-AUUYWEPGSA-N
MW399.38 g/mol
LogP6.31
Rot. Bonds3

About CID 58466032

CID 58466032 (PubChem CID 58466032) has the molecular formula C21H19F6N and a molecular weight of 399.38 g/mol.

Molecular Properties

Compound NameCID 58466032
PubChem CID58466032
Molecular FormulaC21H19F6N
Molecular Weight399.38 g/mol
Exact Mass399.14
IUPAC Name—
SMILES[CH][C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(C)ccc2C(F)(F)F)C1
InChIInChI=1S/C21H19F6N/c1-13-3-8-18(21(25,26)27)16(9-13)12-28-11-14(2)10-19(28)15-4-6-17(7-5-15)20(22,23)24/h2-9,14,19H,10-12H2,1H3/t14-,19-/m1/s1
InChIKeyVYTLWOITMFVISI-AUUYWEPGSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.38
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58466032?
The IUPAC name of CID 58466032 (CID 58466032) is not available.
What is the SMILES notation for CID 58466032?
The canonical SMILES for CID 58466032 is [CH][C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(C)ccc2C(F)(F)F)C1.
What is the InChIKey of CID 58466032?
The InChIKey is VYTLWOITMFVISI-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H19F6N/c1-13-3-8-18(21(25,26)27)16(9-13)12-28-11-14(2)10-19(28)15-4-6-17(7-5-15)20(22,23)24/h2-9,14,19H,10-12H2,1H3/t14-,19-/m1/s1.
What are the key properties of CID 58466032?
CID 58466032 has a molecular weight of 399.38 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58466032 is sourced from PubChem (CID 58466032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).