CID 178155883

C10H21BF3NO — CID 178155883

IUPAC—
SMILESCC.FC(F)F.[B]C(C)(O)N1CCCCC1
InChIInChI=1S/C7H14BNO.C2H6.CHF3/c1-7(8,10)9-5-3-2-4-6-9;1-2;2-1(3)4/h10H,2-6H2,1H3;1-2H3;1H
InChIKeyFLMSRSGRAKQLHA-UHFFFAOYSA-N
MW239.09 g/mol
LogP2.51
Rot. Bonds1

About CID 178155883

CID 178155883 (PubChem CID 178155883) has the molecular formula C10H21BF3NO and a molecular weight of 239.09 g/mol.

Molecular Properties

Compound NameCID 178155883
PubChem CID178155883
Molecular FormulaC10H21BF3NO
Molecular Weight239.09 g/mol
Exact Mass239.17
IUPAC Name—
SMILESCC.FC(F)F.[B]C(C)(O)N1CCCCC1
InChIInChI=1S/C7H14BNO.C2H6.CHF3/c1-7(8,10)9-5-3-2-4-6-9;1-2;2-1(3)4/h10H,2-6H2,1H3;1-2H3;1H
InChIKeyFLMSRSGRAKQLHA-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-di(piperidin-1-yl)propane-1,2-diol
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1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
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1,6-ditert-butyl-1,6-diazacycloundecane
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1-tert-butylazepane;1-tert-butylpiperidine
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2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077
2-(azepan-1-yl)-2-methylpropane-1,3-diol
CID 104550731
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
CID 168972812
CID 168972812
2-hydroxy-2-pyrrolidin-1-ylpropanal
CID 87834675
3-methyl-2-piperidin-1-ylbutan-2-amine
CID 70117751
ethane;methanol;1-methylazepane
CID 171650925
ethane;1-(1-fluoroethyl)piperidine
CID 162429283

Frequently Asked Questions

What is the IUPAC name of CID 178155883?
The IUPAC name of CID 178155883 (CID 178155883) is not available.
What is the SMILES notation for CID 178155883?
The canonical SMILES for CID 178155883 is CC.FC(F)F.[B]C(C)(O)N1CCCCC1.
What is the InChIKey of CID 178155883?
The InChIKey is FLMSRSGRAKQLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BNO.C2H6.CHF3/c1-7(8,10)9-5-3-2-4-6-9;1-2;2-1(3)4/h10H,2-6H2,1H3;1-2H3;1H.
What are the key properties of CID 178155883?
CID 178155883 has a molecular weight of 239.09 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178155883 is sourced from PubChem (CID 178155883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).