[(4S)-4-chlorocycloheptyl]-iodophosphane

C7H13ClIP — CID 146588056

IUPAC[(4S)-4-chlorocycloheptyl]-iodophosphane
SMILESCl[C@H]1CCCC(PI)CC1
InChIInChI=1S/C7H13ClIP/c8-6-2-1-3-7(10-9)5-4-6/h6-7,10H,1-5H2/t6-,7?/m0/s1
InChIKeyLZNGUDVJEVSJTO-PKPIPKONSA-N
MW290.51 g/mol
LogP3.95
Rot. Bonds1

About [(4S)-4-chlorocycloheptyl]-iodophosphane

[(4S)-4-chlorocycloheptyl]-iodophosphane (PubChem CID 146588056) has the molecular formula C7H13ClIP and a molecular weight of 290.51 g/mol. Its IUPAC name is [(4S)-4-chlorocycloheptyl]-iodophosphane.

Molecular Properties

Compound Name[(4S)-4-chlorocycloheptyl]-iodophosphane
PubChem CID146588056
Molecular FormulaC7H13ClIP
Molecular Weight290.51 g/mol
Exact Mass289.95
IUPAC Name[(4S)-4-chlorocycloheptyl]-iodophosphane
SMILESCl[C@H]1CCCC(PI)CC1
InChIInChI=1S/C7H13ClIP/c8-6-2-1-3-7(10-9)5-4-6/h6-7,10H,1-5H2/t6-,7?/m0/s1
InChIKeyLZNGUDVJEVSJTO-PKPIPKONSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.95
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-chlorocycloheptyl]-iodophosphane?
The IUPAC name of [(4S)-4-chlorocycloheptyl]-iodophosphane (CID 146588056) is [(4S)-4-chlorocycloheptyl]-iodophosphane.
What is the SMILES notation for [(4S)-4-chlorocycloheptyl]-iodophosphane?
The canonical SMILES for [(4S)-4-chlorocycloheptyl]-iodophosphane is Cl[C@H]1CCCC(PI)CC1.
What is the InChIKey of [(4S)-4-chlorocycloheptyl]-iodophosphane?
The InChIKey is LZNGUDVJEVSJTO-PKPIPKONSA-N. The full InChI is InChI=1S/C7H13ClIP/c8-6-2-1-3-7(10-9)5-4-6/h6-7,10H,1-5H2/t6-,7?/m0/s1.
What are the key properties of [(4S)-4-chlorocycloheptyl]-iodophosphane?
[(4S)-4-chlorocycloheptyl]-iodophosphane has a molecular weight of 290.51 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-chlorocycloheptyl]-iodophosphane is sourced from PubChem (CID 146588056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).