1-fluoro-1-iodo-5-methylhexane

C7H14FI — CID 141076544

IUPAC1-fluoro-1-iodo-5-methylhexane
SMILESCC(C)CCCC(F)I
InChIInChI=1S/C7H14FI/c1-6(2)4-3-5-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyDNVTWOZPIZWQQJ-UHFFFAOYSA-N
MW244.09 g/mol
LogP3.54
Rot. Bonds4

About 1-fluoro-1-iodo-5-methylhexane

1-fluoro-1-iodo-5-methylhexane (PubChem CID 141076544) has the molecular formula C7H14FI and a molecular weight of 244.09 g/mol. Its IUPAC name is 1-fluoro-1-iodo-5-methylhexane.

Molecular Properties

Compound Name1-fluoro-1-iodo-5-methylhexane
PubChem CID141076544
Molecular FormulaC7H14FI
Molecular Weight244.09 g/mol
Exact Mass244.01
IUPAC Name1-fluoro-1-iodo-5-methylhexane
SMILESCC(C)CCCC(F)I
InChIInChI=1S/C7H14FI/c1-6(2)4-3-5-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyDNVTWOZPIZWQQJ-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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'}

Analyze 1-fluoro-1-iodo-5-methylhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
(3R)-10-methylundecan-3-ol
CID 164999222
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
1,1-difluoro-N,6-dimethylheptan-2-amine
CID 103517025
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
(2R,4R,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474927
(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474928
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
10-methylundecane-2,6-diol
CID 88681561
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
magnesium;2,6-dimethyloctane;dibromide
CID 175146229

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-iodo-5-methylhexane?
The IUPAC name of 1-fluoro-1-iodo-5-methylhexane (CID 141076544) is 1-fluoro-1-iodo-5-methylhexane.
What is the SMILES notation for 1-fluoro-1-iodo-5-methylhexane?
The canonical SMILES for 1-fluoro-1-iodo-5-methylhexane is CC(C)CCCC(F)I.
What is the InChIKey of 1-fluoro-1-iodo-5-methylhexane?
The InChIKey is DNVTWOZPIZWQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FI/c1-6(2)4-3-5-7(8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-1-iodo-5-methylhexane?
1-fluoro-1-iodo-5-methylhexane has a molecular weight of 244.09 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-iodo-5-methylhexane is sourced from PubChem (CID 141076544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).