CID 163905895

C9H9FI- — CID 163905895

IUPAC—
SMILESCCc1cc2c(c(C)c1F)[I-]2
InChIInChI=1S/C9H9FI/c1-3-6-4-7-9(11-7)5(2)8(6)10/h4H,3H2,1-2H3/q-1
InChIKeyLOEPFYWNQSFADL-UHFFFAOYSA-N
MW263.07 g/mol
LogP-0.86
Rot. Bonds1

About CID 163905895

CID 163905895 (PubChem CID 163905895) has the molecular formula C9H9FI- and a molecular weight of 263.07 g/mol.

Molecular Properties

Compound NameCID 163905895
PubChem CID163905895
Molecular FormulaC9H9FI-
Molecular Weight263.07 g/mol
Exact Mass262.97
IUPAC Name—
SMILESCCc1cc2c(c(C)c1F)[I-]2
InChIInChI=1S/C9H9FI/c1-3-6-4-7-9(11-7)5(2)8(6)10/h4H,3H2,1-2H3/q-1
InChIKeyLOEPFYWNQSFADL-UHFFFAOYSA-N
XLogP-0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene
CID 139904745
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
CID 130776841
3,5-diethyl-2,6-dimethylphenol
CID 23451688
1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
CID 147457037
1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene
CID 170287303
1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
CID 144965561
3-ethyl-4,5-difluorophenol
CID 147335111
3-ethyl-5-fluoro-2-methylpyridine
CID 118913219
3-ethyl-5-fluoro-4-methylbenzenethiol
CID 91874505
6-ethyl-2-fluoro-7-methyl-1-benzothiophene
CID 130985732
1-ethyl-2,4,5-trifluoro-3-methoxybenzene
CID 130384475
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981

Frequently Asked Questions

What is the IUPAC name of CID 163905895?
The IUPAC name of CID 163905895 (CID 163905895) is not available.
What is the SMILES notation for CID 163905895?
The canonical SMILES for CID 163905895 is CCc1cc2c(c(C)c1F)[I-]2.
What is the InChIKey of CID 163905895?
The InChIKey is LOEPFYWNQSFADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FI/c1-3-6-4-7-9(11-7)5(2)8(6)10/h4H,3H2,1-2H3/q-1.
What are the key properties of CID 163905895?
CID 163905895 has a molecular weight of 263.07 g/mol, XLogP of -0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163905895 is sourced from PubChem (CID 163905895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).