1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane

C9H13F2I — CID 129014367

IUPAC1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane
SMILESC=CC(F)(F)C1CCC(I)CC1
InChIInChI=1S/C9H13F2I/c1-2-9(10,11)7-3-5-8(12)6-4-7/h2,7-8H,1,3-6H2
InChIKeyUAXTUCOLIUOISG-UHFFFAOYSA-N
MW286.10 g/mol
LogP3.80
Rot. Bonds2

About 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane

1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane (PubChem CID 129014367) has the molecular formula C9H13F2I and a molecular weight of 286.10 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane.

Molecular Properties

Compound Name1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane
PubChem CID129014367
Molecular FormulaC9H13F2I
Molecular Weight286.10 g/mol
Exact Mass286.00
IUPAC Name1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane
SMILESC=CC(F)(F)C1CCC(I)CC1
InChIInChI=1S/C9H13F2I/c1-2-9(10,11)7-3-5-8(12)6-4-7/h2,7-8H,1,3-6H2
InChIKeyUAXTUCOLIUOISG-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 53.80
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane?
The IUPAC name of 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane (CID 129014367) is 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane.
What is the SMILES notation for 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane?
The canonical SMILES for 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane is C=CC(F)(F)C1CCC(I)CC1.
What is the InChIKey of 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane?
The InChIKey is UAXTUCOLIUOISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2I/c1-2-9(10,11)7-3-5-8(12)6-4-7/h2,7-8H,1,3-6H2.
What are the key properties of 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane?
1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane has a molecular weight of 286.10 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroprop-2-enyl)-4-iodocyclohexane is sourced from PubChem (CID 129014367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).