CID 71258702

C27H30F3NO3 — CID 71258702

IUPAC—
SMILESCC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2
InChIInChI=1S/C27H30F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(7-8-25)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-3-5-17(6-4-16)27(28,29)30/h3-6,15,19,24,32H,7-14H2,1-2H3/t19-,24+/m0/s1
InChIKeyNAMIFAUJUWYWCR-YADARESESA-N
MW473.54 g/mol
LogP6.11
Rot. Bonds2

About CID 71258702

CID 71258702 (PubChem CID 71258702) has the molecular formula C27H30F3NO3 and a molecular weight of 473.54 g/mol.

Molecular Properties

Compound NameCID 71258702
PubChem CID71258702
Molecular FormulaC27H30F3NO3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name—
SMILESCC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2
InChIInChI=1S/C27H30F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(7-8-25)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-3-5-17(6-4-16)27(28,29)30/h3-6,15,19,24,32H,7-14H2,1-2H3/t19-,24+/m0/s1
InChIKeyNAMIFAUJUWYWCR-YADARESESA-N
XLogP6.11
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 71258702?
The IUPAC name of CID 71258702 (CID 71258702) is not available.
What is the SMILES notation for CID 71258702?
The canonical SMILES for CID 71258702 is CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCOCC1)[C@@H](O)CC1(CC1)C2.
What is the InChIKey of CID 71258702?
The InChIKey is NAMIFAUJUWYWCR-YADARESESA-N. The full InChI is InChI=1S/C27H30F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(7-8-25)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-3-5-17(6-4-16)27(28,29)30/h3-6,15,19,24,32H,7-14H2,1-2H3/t19-,24+/m0/s1.
What are the key properties of CID 71258702?
CID 71258702 has a molecular weight of 473.54 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71258702 is sourced from PubChem (CID 71258702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).