(4R)-2-fluoro-4-(iodomethyl)hexane

C7H14FI — CID 87420255

IUPAC(4R)-2-fluoro-4-(iodomethyl)hexane
SMILESCC[C@@H](CI)CC(C)F
InChIInChI=1S/C7H14FI/c1-3-7(5-9)4-6(2)8/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyOAJFAEWRXJULEO-COBSHVIPSA-N
MW244.09 g/mol
LogP3.20
Rot. Bonds4

About (4R)-2-fluoro-4-(iodomethyl)hexane

(4R)-2-fluoro-4-(iodomethyl)hexane (PubChem CID 87420255) has the molecular formula C7H14FI and a molecular weight of 244.09 g/mol. Its IUPAC name is (4R)-2-fluoro-4-(iodomethyl)hexane.

Molecular Properties

Compound Name(4R)-2-fluoro-4-(iodomethyl)hexane
PubChem CID87420255
Molecular FormulaC7H14FI
Molecular Weight244.09 g/mol
Exact Mass244.01
IUPAC Name(4R)-2-fluoro-4-(iodomethyl)hexane
SMILESCC[C@@H](CI)CC(C)F
InChIInChI=1S/C7H14FI/c1-3-7(5-9)4-6(2)8/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyOAJFAEWRXJULEO-COBSHVIPSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 53.20
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 (4R)-2-fluoro-4-(iodomethyl)hexane?
The IUPAC name of (4R)-2-fluoro-4-(iodomethyl)hexane (CID 87420255) is (4R)-2-fluoro-4-(iodomethyl)hexane.
What is the SMILES notation for (4R)-2-fluoro-4-(iodomethyl)hexane?
The canonical SMILES for (4R)-2-fluoro-4-(iodomethyl)hexane is CC[C@@H](CI)CC(C)F.
What is the InChIKey of (4R)-2-fluoro-4-(iodomethyl)hexane?
The InChIKey is OAJFAEWRXJULEO-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14FI/c1-3-7(5-9)4-6(2)8/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (4R)-2-fluoro-4-(iodomethyl)hexane?
(4R)-2-fluoro-4-(iodomethyl)hexane has a molecular weight of 244.09 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-fluoro-4-(iodomethyl)hexane is sourced from PubChem (CID 87420255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).