CID 71264415

C28H32F3NO4 — CID 71264415

IUPAC—
SMILESCOc1cc([C@H]2OC3(CCOCC3)c3c2c(C(C)C)nc2c3[C@@H](O)CC3(CC3)C2)ccc1C(F)(F)F
InChIInChI=1S/C28H32F3NO4/c1-15(2)24-22-23(21-18(32-24)13-26(6-7-26)14-19(21)33)27(8-10-35-11-9-27)36-25(22)16-4-5-17(28(29,30)31)20(12-16)34-3/h4-5,12,15,19,25,33H,6-11,13-14H2,1-3H3/t19-,25+/m0/s1
InChIKeyOZZDLODZCODVQC-UQBPGWFLSA-N
MW503.56 g/mol
LogP6.12
Rot. Bonds3

About CID 71264415

CID 71264415 (PubChem CID 71264415) has the molecular formula C28H32F3NO4 and a molecular weight of 503.56 g/mol.

Molecular Properties

Compound NameCID 71264415
PubChem CID71264415
Molecular FormulaC28H32F3NO4
Molecular Weight503.56 g/mol
Exact Mass503.23
IUPAC Name—
SMILESCOc1cc([C@H]2OC3(CCOCC3)c3c2c(C(C)C)nc2c3[C@@H](O)CC3(CC3)C2)ccc1C(F)(F)F
InChIInChI=1S/C28H32F3NO4/c1-15(2)24-22-23(21-18(32-24)13-26(6-7-26)14-19(21)33)27(8-10-35-11-9-27)36-25(22)16-4-5-17(28(29,30)31)20(12-16)34-3/h4-5,12,15,19,25,33H,6-11,13-14H2,1-3H3/t19-,25+/m0/s1
InChIKeyOZZDLODZCODVQC-UQBPGWFLSA-N
XLogP6.12
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 71264415?
The IUPAC name of CID 71264415 (CID 71264415) is not available.
What is the SMILES notation for CID 71264415?
The canonical SMILES for CID 71264415 is COc1cc([C@H]2OC3(CCOCC3)c3c2c(C(C)C)nc2c3[C@@H](O)CC3(CC3)C2)ccc1C(F)(F)F.
What is the InChIKey of CID 71264415?
The InChIKey is OZZDLODZCODVQC-UQBPGWFLSA-N. The full InChI is InChI=1S/C28H32F3NO4/c1-15(2)24-22-23(21-18(32-24)13-26(6-7-26)14-19(21)33)27(8-10-35-11-9-27)36-25(22)16-4-5-17(28(29,30)31)20(12-16)34-3/h4-5,12,15,19,25,33H,6-11,13-14H2,1-3H3/t19-,25+/m0/s1.
What are the key properties of CID 71264415?
CID 71264415 has a molecular weight of 503.56 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71264415 is sourced from PubChem (CID 71264415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).