CID 59076916

C26H30F2 — CID 59076916

IUPAC—
SMILESC[C]1CCC([C]2CCC(c3ccc(-c4ccc(C)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C26H30F2/c1-17-3-6-19(7-4-17)20-9-11-21(12-10-20)22-13-14-24(26(28)15-22)23-8-5-18(2)25(27)16-23/h5,8,13-16,19,21H,3-4,6-7,9-12H2,1-2H3
InChIKeyBDUSIDUDAKFGFG-UHFFFAOYSA-N
MW380.52 g/mol
LogP7.96
Rot. Bonds3

About CID 59076916

CID 59076916 (PubChem CID 59076916) has the molecular formula C26H30F2 and a molecular weight of 380.52 g/mol.

Molecular Properties

Compound NameCID 59076916
PubChem CID59076916
Molecular FormulaC26H30F2
Molecular Weight380.52 g/mol
Exact Mass380.23
IUPAC Name—
SMILESC[C]1CCC([C]2CCC(c3ccc(-c4ccc(C)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C26H30F2/c1-17-3-6-19(7-4-17)20-9-11-21(12-10-20)22-13-14-24(26(28)15-22)23-8-5-18(2)25(27)16-23/h5,8,13-16,19,21H,3-4,6-7,9-12H2,1-2H3
InChIKeyBDUSIDUDAKFGFG-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 59076916?
The IUPAC name of CID 59076916 (CID 59076916) is not available.
What is the SMILES notation for CID 59076916?
The canonical SMILES for CID 59076916 is C[C]1CCC([C]2CCC(c3ccc(-c4ccc(C)c(F)c4)c(F)c3)CC2)CC1.
What is the InChIKey of CID 59076916?
The InChIKey is BDUSIDUDAKFGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2/c1-17-3-6-19(7-4-17)20-9-11-21(12-10-20)22-13-14-24(26(28)15-22)23-8-5-18(2)25(27)16-23/h5,8,13-16,19,21H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of CID 59076916?
CID 59076916 has a molecular weight of 380.52 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59076916 is sourced from PubChem (CID 59076916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).