2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane

C8H10F3I — CID 131857871

IUPAC2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C1C2CCC(C2)C1I
InChIInChI=1S/C8H10F3I/c9-8(10,11)6-4-1-2-5(3-4)7(6)12/h4-7H,1-3H2
InChIKeyLLIVPHNIKKYXAP-UHFFFAOYSA-N
MW290.07 g/mol
LogP3.40
Rot. Bonds

About 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane

2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane (PubChem CID 131857871) has the molecular formula C8H10F3I and a molecular weight of 290.07 g/mol. Its IUPAC name is 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane
PubChem CID131857871
Molecular FormulaC8H10F3I
Molecular Weight290.07 g/mol
Exact Mass289.98
IUPAC Name2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C1C2CCC(C2)C1I
InChIInChI=1S/C8H10F3I/c9-8(10,11)6-4-1-2-5(3-4)7(6)12/h4-7H,1-3H2
InChIKeyLLIVPHNIKKYXAP-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 53.40
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

2-(Trifluoromethyl)bicyclo[2.2.1]heptane
CID 21927729
2-(Iodomethyl)bicyclo(2.2.1)heptane
CID 53485214
2-(Fluoromethyl)bicyclo[2.2.1]heptane
CID 13610084
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]heptane
CID 89413784
2,2-Difluoro-5-methylbicyclo[2.2.1]heptane
CID 45090371
2,2-Difluoro-6-methylbicyclo[2.2.1]heptane
CID 45090372
(1R,2R,3S,4S)-2-iodo-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]heptane
CID 162401848
(1R,3S,4S)-2,2-difluoro-3-methylbicyclo[2.2.1]heptane
CID 21633583
(1R,3R,4S)-2,2-difluoro-3-methylbicyclo[2.2.1]heptane
CID 21633584
(1R,4S,5R)-2,2-difluoro-5-methylbicyclo[2.2.1]heptane
CID 21633587
(1S,4S,6S)-2,2-difluoro-6-methylbicyclo[2.2.1]heptane
CID 21633589
(1S,4S,6R)-2,2-difluoro-6-methylbicyclo[2.2.1]heptane
CID 21633590

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane (CID 131857871) is 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane is FC(F)(F)C1C2CCC(C2)C1I.
What is the InChIKey of 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
The InChIKey is LLIVPHNIKKYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3I/c9-8(10,11)6-4-1-2-5(3-4)7(6)12/h4-7H,1-3H2.
What are the key properties of 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane?
2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane has a molecular weight of 290.07 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-(trifluoromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 131857871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).