1-chloro-8-iodotricyclo[5.2.0.02,5]nonane

C9H12ClI — CID 100950476

IUPAC1-chloro-8-iodotricyclo[5.2.0.02,5]nonane
SMILESClC12CC(I)C1CC1CCC12
InChIInChI=1S/C9H12ClI/c10-9-4-8(11)7(9)3-5-1-2-6(5)9/h5-8H,1-4H2
InChIKeyDHRFSEUSRMQRSZ-UHFFFAOYSA-N
MW282.55 g/mol
LogP3.22
Rot. Bonds

About 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane

1-chloro-8-iodotricyclo[5.2.0.02,5]nonane (PubChem CID 100950476) has the molecular formula C9H12ClI and a molecular weight of 282.55 g/mol. Its IUPAC name is 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane.

Molecular Properties

Compound Name1-chloro-8-iodotricyclo[5.2.0.02,5]nonane
PubChem CID100950476
Molecular FormulaC9H12ClI
Molecular Weight282.55 g/mol
Exact Mass281.97
IUPAC Name1-chloro-8-iodotricyclo[5.2.0.02,5]nonane
SMILESClC12CC(I)C1CC1CCC12
InChIInChI=1S/C9H12ClI/c10-9-4-8(11)7(9)3-5-1-2-6(5)9/h5-8H,1-4H2
InChIKeyDHRFSEUSRMQRSZ-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 53.22
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'}

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Related Compounds

(1R,2R,4R,7R,8R)-1,8,9,10,11,11-hexachloro-4-[(1S,2S,4S)-1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl]tricyclo[6.2.1.02,7]undec-9-ene
CID 124936391
(1R,2S,4S,7R,8S)-1,8,9,10,11,11-hexachloro-4-[(1S,2R,4S)-1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl]tricyclo[6.2.1.02,7]undec-9-ene
CID 99650340
1-chloro-2-cyclopropyl-1-fluorocyclopropane
CID 134853873
2,2,7-trimethylbicyclo[2.2.1]heptane
CID 18669850
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane
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(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine
CID 163943692
(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane
CID 23273214
cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine
CID 130198454
(1'S,3'R,4R,6R,6'R)-4,6-dimethylspiro[1,3-dioxane-2,2'-bicyclo[4.1.0]heptane]-3'-ol
CID 101142881
(2-fluoro-2-bicyclo[3.1.0]hexanyl)methanamine
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tetracyclo[6.2.2.23,6.02,7]tetradecane
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane?
The IUPAC name of 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane (CID 100950476) is 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane.
What is the SMILES notation for 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane?
The canonical SMILES for 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane is ClC12CC(I)C1CC1CCC12.
What is the InChIKey of 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane?
The InChIKey is DHRFSEUSRMQRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClI/c10-9-4-8(11)7(9)3-5-1-2-6(5)9/h5-8H,1-4H2.
What are the key properties of 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane?
1-chloro-8-iodotricyclo[5.2.0.02,5]nonane has a molecular weight of 282.55 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane is sourced from PubChem (CID 100950476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).