1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C10H16FI — CID 122679458

IUPAC1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC1CCC(I)C2CCCCC12
InChIInChI=1S/C10H16FI/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-10H,1-6H2
InChIKeyLFHNOMLFHZPPSF-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.73
Rot. Bonds

About 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 122679458) has the molecular formula C10H16FI and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID122679458
Molecular FormulaC10H16FI
Molecular Weight282.14 g/mol
Exact Mass282.03
IUPAC Name1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC1CCC(I)C2CCCCC12
InChIInChI=1S/C10H16FI/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-10H,1-6H2
InChIKeyLFHNOMLFHZPPSF-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodo-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 122679457
4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 70595713
(1R,3aS,6aS)-1-iodo-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 130311161
bicyclo[4.1.0]heptane-7-thiol
CID 91534790
1-cyclohexyl-2,3-difluoro-4-[4-(3-fluoro-4-iodocyclohexyl)cyclohexyl]cyclohexane
CID 90437409
(1S)-1,3-difluoro-2-iodocyclohexane
CID 166966688
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
cis-(1S,2R)-2-fluorocyclohexane-1-thiol
CID 160810727
9-iodotricyclo[6.2.1.02,7]undecane
CID 149048580
1-cyclohexyl-2,3-difluoro-4-[4-[2-(3-fluoro-4-iodocyclohexyl)ethyl]cyclohexyl]cyclohexane
CID 90437196
1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane
CID 165493538
1-(2-cyclohexylethynyl)-4-(2-fluorocyclohexyl)cyclohexane
CID 142188178

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 122679458) is 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is FC1CCC(I)C2CCCCC12.
What is the InChIKey of 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is LFHNOMLFHZPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FI/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-10H,1-6H2.
What are the key properties of 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 282.14 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 122679458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).