CID 163917926

C17H24F3IN- — CID 163917926

IUPAC—
SMILESCC(C)c1ccc(CC2CCN(C)CC[I-]2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3IN/c1-12(2)13-4-5-14(16(11-13)17(18,19)20)10-15-6-8-22(3)9-7-21-15/h4-5,11-12,15H,6-10H2,1-3H3/q-1
InChIKeyWGABCALRCISVMI-UHFFFAOYSA-N
MW426.28 g/mol
LogP1.16
Rot. Bonds3

About CID 163917926

CID 163917926 (PubChem CID 163917926) has the molecular formula C17H24F3IN- and a molecular weight of 426.28 g/mol.

Molecular Properties

Compound NameCID 163917926
PubChem CID163917926
Molecular FormulaC17H24F3IN-
Molecular Weight426.28 g/mol
Exact Mass426.09
IUPAC Name—
SMILESCC(C)c1ccc(CC2CCN(C)CC[I-]2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3IN/c1-12(2)13-4-5-14(16(11-13)17(18,19)20)10-15-6-8-22(3)9-7-21-15/h4-5,11-12,15H,6-10H2,1-3H3/q-1
InChIKeyWGABCALRCISVMI-UHFFFAOYSA-N
XLogP1.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 142321618
1-[[4-butan-2-yl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine
CID 152876391
1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 168958846
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 177155724
N-(cycloheptylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404785
N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404787
1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
CID 153025858
2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 118055205
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperidine
CID 107085565

Frequently Asked Questions

What is the IUPAC name of CID 163917926?
The IUPAC name of CID 163917926 (CID 163917926) is not available.
What is the SMILES notation for CID 163917926?
The canonical SMILES for CID 163917926 is CC(C)c1ccc(CC2CCN(C)CC[I-]2)c(C(F)(F)F)c1.
What is the InChIKey of CID 163917926?
The InChIKey is WGABCALRCISVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3IN/c1-12(2)13-4-5-14(16(11-13)17(18,19)20)10-15-6-8-22(3)9-7-21-15/h4-5,11-12,15H,6-10H2,1-3H3/q-1.
What are the key properties of CID 163917926?
CID 163917926 has a molecular weight of 426.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163917926 is sourced from PubChem (CID 163917926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).