CID 134937071

C20H18F6O6 — CID 134937071

IUPAC—
SMILESC[C@@H]1C[C@H](C(F)(F)F)OC2(C=CC(=O)C3=C2C(=O)C=CC32O[C@H](C)C[C@H](C(F)(F)F)O2)O1
InChIInChI=1S/C20H18F6O6/c1-9-7-13(19(21,22)23)31-17(29-9)5-3-12(28)16-15(17)11(27)4-6-18(16)30-10(2)8-14(32-18)20(24,25)26/h3-6,9-10,13-14H,7-8H2,1-2H3/t9-,10-,13-,14-,17?,18?/m1/s1
InChIKeyRVWZYAHNCVIOGB-DRUUMZEOSA-N
MW468.35 g/mol
LogP3.47
Rot. Bonds

About CID 134937071

CID 134937071 (PubChem CID 134937071) has the molecular formula C20H18F6O6 and a molecular weight of 468.35 g/mol.

Molecular Properties

Compound NameCID 134937071
PubChem CID134937071
Molecular FormulaC20H18F6O6
Molecular Weight468.35 g/mol
Exact Mass468.10
IUPAC Name—
SMILESC[C@@H]1C[C@H](C(F)(F)F)OC2(C=CC(=O)C3=C2C(=O)C=CC32O[C@H](C)C[C@H](C(F)(F)F)O2)O1
InChIInChI=1S/C20H18F6O6/c1-9-7-13(19(21,22)23)31-17(29-9)5-3-12(28)16-15(17)11(27)4-6-18(16)30-10(2)8-14(32-18)20(24,25)26/h3-6,9-10,13-14H,7-8H2,1-2H3/t9-,10-,13-,14-,17?,18?/m1/s1
InChIKeyRVWZYAHNCVIOGB-DRUUMZEOSA-N
XLogP3.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 134937071?
The IUPAC name of CID 134937071 (CID 134937071) is not available.
What is the SMILES notation for CID 134937071?
The canonical SMILES for CID 134937071 is C[C@@H]1C[C@H](C(F)(F)F)OC2(C=CC(=O)C3=C2C(=O)C=CC32O[C@H](C)C[C@H](C(F)(F)F)O2)O1.
What is the InChIKey of CID 134937071?
The InChIKey is RVWZYAHNCVIOGB-DRUUMZEOSA-N. The full InChI is InChI=1S/C20H18F6O6/c1-9-7-13(19(21,22)23)31-17(29-9)5-3-12(28)16-15(17)11(27)4-6-18(16)30-10(2)8-14(32-18)20(24,25)26/h3-6,9-10,13-14H,7-8H2,1-2H3/t9-,10-,13-,14-,17?,18?/m1/s1.
What are the key properties of CID 134937071?
CID 134937071 has a molecular weight of 468.35 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134937071 is sourced from PubChem (CID 134937071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).