CID 175550645

C8H16F3N2OP — CID 175550645

IUPAC—
SMILESCCCCN1C=CN(C)C1.O=P(F)(F)F
InChIInChI=1S/C8H16N2.F3OP/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;
InChIKeyMBNFOGMJSOCVEH-UHFFFAOYSA-N
MW244.20 g/mol
LogP3.47
Rot. Bonds3

About CID 175550645

CID 175550645 (PubChem CID 175550645) has the molecular formula C8H16F3N2OP and a molecular weight of 244.20 g/mol.

Molecular Properties

Compound NameCID 175550645
PubChem CID175550645
Molecular FormulaC8H16F3N2OP
Molecular Weight244.20 g/mol
Exact Mass244.10
IUPAC Name—
SMILESCCCCN1C=CN(C)C1.O=P(F)(F)F
InChIInChI=1S/C8H16N2.F3OP/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;
InChIKeyMBNFOGMJSOCVEH-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174105929
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CID 175542670
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
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1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
CID 174105864
CID 174105864
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773

Frequently Asked Questions

What is the IUPAC name of CID 175550645?
The IUPAC name of CID 175550645 (CID 175550645) is not available.
What is the SMILES notation for CID 175550645?
The canonical SMILES for CID 175550645 is CCCCN1C=CN(C)C1.O=P(F)(F)F.
What is the InChIKey of CID 175550645?
The InChIKey is MBNFOGMJSOCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.F3OP/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;.
What are the key properties of CID 175550645?
CID 175550645 has a molecular weight of 244.20 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175550645 is sourced from PubChem (CID 175550645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).