CID 178021525

C14H22AlF2NO — CID 178021525

IUPAC—
SMILESO=C(N[Al])C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C14H23F2NO.Al/c15-14(16)8-7-11(12(9-14)13(17)18)10-5-3-1-2-4-6-10;/h10-12H,1-9H2,(H2,17,18);/q;+1/p-1
InChIKeyYXTDKYTYVRFDTF-UHFFFAOYSA-M
MW285.31 g/mol
LogP3.21
Rot. Bonds2

About CID 178021525

CID 178021525 (PubChem CID 178021525) has the molecular formula C14H22AlF2NO and a molecular weight of 285.31 g/mol.

Molecular Properties

Compound NameCID 178021525
PubChem CID178021525
Molecular FormulaC14H22AlF2NO
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name—
SMILESO=C(N[Al])C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C14H23F2NO.Al/c15-14(16)8-7-11(12(9-14)13(17)18)10-5-3-1-2-4-6-10;/h10-12H,1-9H2,(H2,17,18);/q;+1/p-1
InChIKeyYXTDKYTYVRFDTF-UHFFFAOYSA-M
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 178021525?
The IUPAC name of CID 178021525 (CID 178021525) is not available.
What is the SMILES notation for CID 178021525?
The canonical SMILES for CID 178021525 is O=C(N[Al])C1CC(F)(F)CCC1C1CCCCCC1.
What is the InChIKey of CID 178021525?
The InChIKey is YXTDKYTYVRFDTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23F2NO.Al/c15-14(16)8-7-11(12(9-14)13(17)18)10-5-3-1-2-4-6-10;/h10-12H,1-9H2,(H2,17,18);/q;+1/p-1.
What are the key properties of CID 178021525?
CID 178021525 has a molecular weight of 285.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178021525 is sourced from PubChem (CID 178021525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).