CID 164588904

C14H25F2INO2 — CID 164588904

IUPAC—
SMILESC[I]C(F)(F)/C=N/C(C)(C)CC(C)(C)CC(C)C(=O)O
InChIInChI=1S/C14H25F2INO2/c1-10(11(19)20)7-12(2,3)8-13(4,5)18-9-14(15,16)17-6/h9-10H,7-8H2,1-6H3,(H,19,20)/b18-9+
InChIKeyPJOPMVZTCLHNSZ-GIJQJNRQSA-N
MW404.26 g/mol
LogP4.56
Rot. Bonds8

About CID 164588904

CID 164588904 (PubChem CID 164588904) has the molecular formula C14H25F2INO2 and a molecular weight of 404.26 g/mol.

Molecular Properties

Compound NameCID 164588904
PubChem CID164588904
Molecular FormulaC14H25F2INO2
Molecular Weight404.26 g/mol
Exact Mass404.09
IUPAC Name—
SMILESC[I]C(F)(F)/C=N/C(C)(C)CC(C)(C)CC(C)C(=O)O
InChIInChI=1S/C14H25F2INO2/c1-10(11(19)20)7-12(2,3)8-13(4,5)18-9-14(15,16)17-6/h9-10H,7-8H2,1-6H3,(H,19,20)/b18-9+
InChIKeyPJOPMVZTCLHNSZ-GIJQJNRQSA-N
XLogP4.56
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106
4-chloro-4,4-difluoro-2-methylbutanoic acid
CID 174293219
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
4-amino-2,4-dimethylpentanoic acid
CID 20501045
6-tert-butyl-2,4,4,8,8-pentamethylnonanoic acid
CID 154979376
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
5-formyl-2,4,4-trimethylheptanoic acid
CID 58489206
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556

Frequently Asked Questions

What is the IUPAC name of CID 164588904?
The IUPAC name of CID 164588904 (CID 164588904) is not available.
What is the SMILES notation for CID 164588904?
The canonical SMILES for CID 164588904 is C[I]C(F)(F)/C=N/C(C)(C)CC(C)(C)CC(C)C(=O)O.
What is the InChIKey of CID 164588904?
The InChIKey is PJOPMVZTCLHNSZ-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H25F2INO2/c1-10(11(19)20)7-12(2,3)8-13(4,5)18-9-14(15,16)17-6/h9-10H,7-8H2,1-6H3,(H,19,20)/b18-9+.
What are the key properties of CID 164588904?
CID 164588904 has a molecular weight of 404.26 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164588904 is sourced from PubChem (CID 164588904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).