1-fluoro-1-iodo-3-methylheptane;methanamine

C9H21FIN — CID 144585929

IUPAC1-fluoro-1-iodo-3-methylheptane;methanamine
SMILESCCCCC(C)CC(F)I.CN
InChIInChI=1S/C8H16FI.CH5N/c1-3-4-5-7(2)6-8(9)10;1-2/h7-8H,3-6H2,1-2H3;2H2,1H3
InChIKeyVZGKGSFQTBHKKI-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.51
Rot. Bonds5

About 1-fluoro-1-iodo-3-methylheptane;methanamine

1-fluoro-1-iodo-3-methylheptane;methanamine (PubChem CID 144585929) has the molecular formula C9H21FIN and a molecular weight of 289.18 g/mol. Its IUPAC name is 1-fluoro-1-iodo-3-methylheptane;methanamine.

Molecular Properties

Compound Name1-fluoro-1-iodo-3-methylheptane;methanamine
PubChem CID144585929
Molecular FormulaC9H21FIN
Molecular Weight289.18 g/mol
Exact Mass289.07
IUPAC Name1-fluoro-1-iodo-3-methylheptane;methanamine
SMILESCCCCC(C)CC(F)I.CN
InChIInChI=1S/C8H16FI.CH5N/c1-3-4-5-7(2)6-8(9)10;1-2/h7-8H,3-6H2,1-2H3;2H2,1H3
InChIKeyVZGKGSFQTBHKKI-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-7-methylundecane
CID 172587922
5,7,10-trimethyltetradecane
CID 91033593
2,4-dimethyloctane;ethene
CID 156719555
5,15,17-trimethylpentatriacontane
CID 172565406
6,8-dimethylhexadecane
CID 91185725
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
2,4,5,7-tetramethylundecane
CID 91373064
2-ethyl-4-methyloctan-1-amine
CID 21358746
1-bromo-5,7-dimethylundecane
CID 72965609
2,4,6,10-tetramethyltetradecane
CID 123234776
2,4-dimethylnonan-1-amine
CID 123882027
9-butyl-7-methylhexadecane
CID 90905022

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-iodo-3-methylheptane;methanamine?
The IUPAC name of 1-fluoro-1-iodo-3-methylheptane;methanamine (CID 144585929) is 1-fluoro-1-iodo-3-methylheptane;methanamine.
What is the SMILES notation for 1-fluoro-1-iodo-3-methylheptane;methanamine?
The canonical SMILES for 1-fluoro-1-iodo-3-methylheptane;methanamine is CCCCC(C)CC(F)I.CN.
What is the InChIKey of 1-fluoro-1-iodo-3-methylheptane;methanamine?
The InChIKey is VZGKGSFQTBHKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FI.CH5N/c1-3-4-5-7(2)6-8(9)10;1-2/h7-8H,3-6H2,1-2H3;2H2,1H3.
What are the key properties of 1-fluoro-1-iodo-3-methylheptane;methanamine?
1-fluoro-1-iodo-3-methylheptane;methanamine has a molecular weight of 289.18 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-iodo-3-methylheptane;methanamine is sourced from PubChem (CID 144585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).