(4S)-7-chloro-1-fluoro-4-iodooctane

C8H15ClFI — CID 138749485

IUPAC(4S)-7-chloro-1-fluoro-4-iodooctane
SMILESCC(Cl)CC[C@@H](I)CCCF
InChIInChI=1S/C8H15ClFI/c1-7(9)4-5-8(11)3-2-6-10/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyABAJKZSJTMDYLL-MQWKRIRWSA-N
MW292.56 g/mol
LogP3.95
Rot. Bonds6

About (4S)-7-chloro-1-fluoro-4-iodooctane

(4S)-7-chloro-1-fluoro-4-iodooctane (PubChem CID 138749485) has the molecular formula C8H15ClFI and a molecular weight of 292.56 g/mol. Its IUPAC name is (4S)-7-chloro-1-fluoro-4-iodooctane.

Molecular Properties

Compound Name(4S)-7-chloro-1-fluoro-4-iodooctane
PubChem CID138749485
Molecular FormulaC8H15ClFI
Molecular Weight292.56 g/mol
Exact Mass291.99
IUPAC Name(4S)-7-chloro-1-fluoro-4-iodooctane
SMILESCC(Cl)CC[C@@H](I)CCCF
InChIInChI=1S/C8H15ClFI/c1-7(9)4-5-8(11)3-2-6-10/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyABAJKZSJTMDYLL-MQWKRIRWSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
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'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-chloro-1-fluoro-4-iodooctane?
The IUPAC name of (4S)-7-chloro-1-fluoro-4-iodooctane (CID 138749485) is (4S)-7-chloro-1-fluoro-4-iodooctane.
What is the SMILES notation for (4S)-7-chloro-1-fluoro-4-iodooctane?
The canonical SMILES for (4S)-7-chloro-1-fluoro-4-iodooctane is CC(Cl)CC[C@@H](I)CCCF.
What is the InChIKey of (4S)-7-chloro-1-fluoro-4-iodooctane?
The InChIKey is ABAJKZSJTMDYLL-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H15ClFI/c1-7(9)4-5-8(11)3-2-6-10/h7-8H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (4S)-7-chloro-1-fluoro-4-iodooctane?
(4S)-7-chloro-1-fluoro-4-iodooctane has a molecular weight of 292.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-chloro-1-fluoro-4-iodooctane is sourced from PubChem (CID 138749485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).