CID 162430150

C11H13BF3NO3 — CID 162430150

IUPAC—
SMILES[B]C(O)(CN)c1cc(OC)c(C(F)(F)F)cc1OC
InChIInChI=1S/C11H13BF3NO3/c1-18-8-4-7(11(13,14)15)9(19-2)3-6(8)10(12,17)5-16/h3-4,17H,5,16H2,1-2H3
InChIKeySRTVIOXKHYWIJE-UHFFFAOYSA-N
MW275.03 g/mol
LogP0.99
Rot. Bonds4

About CID 162430150

CID 162430150 (PubChem CID 162430150) has the molecular formula C11H13BF3NO3 and a molecular weight of 275.03 g/mol.

Molecular Properties

Compound NameCID 162430150
PubChem CID162430150
Molecular FormulaC11H13BF3NO3
Molecular Weight275.03 g/mol
Exact Mass275.09
IUPAC Name—
SMILES[B]C(O)(CN)c1cc(OC)c(C(F)(F)F)cc1OC
InChIInChI=1S/C11H13BF3NO3/c1-18-8-4-7(11(13,14)15)9(19-2)3-6(8)10(12,17)5-16/h3-4,17H,5,16H2,1-2H3
InChIKeySRTVIOXKHYWIJE-UHFFFAOYSA-N
XLogP0.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.03
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
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2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
CID 83919722
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
CID 169149349
CID 169149349
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
4-methoxy-2,5-bis(trifluoromethyl)benzonitrile
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2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of CID 162430150?
The IUPAC name of CID 162430150 (CID 162430150) is not available.
What is the SMILES notation for CID 162430150?
The canonical SMILES for CID 162430150 is [B]C(O)(CN)c1cc(OC)c(C(F)(F)F)cc1OC.
What is the InChIKey of CID 162430150?
The InChIKey is SRTVIOXKHYWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BF3NO3/c1-18-8-4-7(11(13,14)15)9(19-2)3-6(8)10(12,17)5-16/h3-4,17H,5,16H2,1-2H3.
What are the key properties of CID 162430150?
CID 162430150 has a molecular weight of 275.03 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162430150 is sourced from PubChem (CID 162430150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).