ethane;2-fluoro-1-methoxy-4-methylpentane

C9H21FO — CID 170593191

IUPACethane;2-fluoro-1-methoxy-4-methylpentane
SMILESCC.COCC(F)CC(C)C
InChIInChI=1S/C7H15FO.C2H6/c1-6(2)4-7(8)5-9-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyWCXXQPSXZKKSPO-UHFFFAOYSA-N
MW164.26 g/mol
LogP3.04
Rot. Bonds4

About ethane;2-fluoro-1-methoxy-4-methylpentane

ethane;2-fluoro-1-methoxy-4-methylpentane (PubChem CID 170593191) has the molecular formula C9H21FO and a molecular weight of 164.26 g/mol. Its IUPAC name is ethane;2-fluoro-1-methoxy-4-methylpentane.

Molecular Properties

Compound Nameethane;2-fluoro-1-methoxy-4-methylpentane
PubChem CID170593191
Molecular FormulaC9H21FO
Molecular Weight164.26 g/mol
Exact Mass164.16
IUPAC Nameethane;2-fluoro-1-methoxy-4-methylpentane
SMILESCC.COCC(F)CC(C)C
InChIInChI=1S/C7H15FO.C2H6/c1-6(2)4-7(8)5-9-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyWCXXQPSXZKKSPO-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(methoxymethyl)-4-methylpentane
CID 103985154
2-fluoro-N,N,4-trimethylpentan-1-amine
CID 170688420
(2S)-2-fluoro-1-methoxybutane
CID 149174257
(3S)-3-(methoxymethyl)-2,5-dimethylhexane
CID 121338192
1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
CID 170161342
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
2-fluoro-1-methoxy-3-propoxypropane
CID 177367815
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
ethane;1-methoxy-3-methylbutane
CID 144580604
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane
CID 141015062
fluoro-(2-fluoro-4-methylpentyl)-methylphosphane
CID 146579603

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-1-methoxy-4-methylpentane?
The IUPAC name of ethane;2-fluoro-1-methoxy-4-methylpentane (CID 170593191) is ethane;2-fluoro-1-methoxy-4-methylpentane.
What is the SMILES notation for ethane;2-fluoro-1-methoxy-4-methylpentane?
The canonical SMILES for ethane;2-fluoro-1-methoxy-4-methylpentane is CC.COCC(F)CC(C)C.
What is the InChIKey of ethane;2-fluoro-1-methoxy-4-methylpentane?
The InChIKey is WCXXQPSXZKKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO.C2H6/c1-6(2)4-7(8)5-9-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-fluoro-1-methoxy-4-methylpentane?
ethane;2-fluoro-1-methoxy-4-methylpentane has a molecular weight of 164.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-1-methoxy-4-methylpentane is sourced from PubChem (CID 170593191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).