2-fluoro-1-methoxy-4-methylpentane

C7H15FO — CID 139481282

IUPAC2-fluoro-1-methoxy-4-methylpentane
SMILESCOCC(F)CC(C)C
InChIInChI=1S/C7H15FO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyUTVCTUDGPWZXLL-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.02
Rot. Bonds4

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

2-fluoro-1-methoxy-4-methylpentane (PubChem CID 139481282) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-methylpentane.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-methylpentane
PubChem CID139481282
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name2-fluoro-1-methoxy-4-methylpentane
SMILESCOCC(F)CC(C)C
InChIInChI=1S/C7H15FO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyUTVCTUDGPWZXLL-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Fluoromethyl)oxane
CID 15311411
1,1,1-Trifluoro-5-methoxy-2-methylpentane
CID 54079437
1-Fluoro-5-(fluoromethoxy)-3-methylpentane
CID 59086817
2,2-Difluoro-1-methoxy-4-methylpentane
CID 59458528
CID 59530168
CID 59530168
4-Fluoro-1-methoxy-2-methylbutane
CID 59592536
1-(Fluoromethoxy)-2-methylbutane
CID 59716050
3-Fluoro-3-methyloxane
CID 67078335
1-(2-Fluoroethoxy)-4-methylpentane
CID 87069267
4-Methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 87069289
1,1,1-Trifluoro-2-(methoxymethyl)pentane
CID 87244316
1-(Difluoromethoxy)-4-methylpentane
CID 87379260

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-methylpentane?
The IUPAC name of 2-fluoro-1-methoxy-4-methylpentane (CID 139481282) is 2-fluoro-1-methoxy-4-methylpentane.
What is the SMILES notation for 2-fluoro-1-methoxy-4-methylpentane?
The canonical SMILES for 2-fluoro-1-methoxy-4-methylpentane is COCC(F)CC(C)C.
What is the InChIKey of 2-fluoro-1-methoxy-4-methylpentane?
The InChIKey is UTVCTUDGPWZXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-6(2)4-7(8)5-9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-1-methoxy-4-methylpentane?
2-fluoro-1-methoxy-4-methylpentane has a molecular weight of 134.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-methylpentane is sourced from PubChem (CID 139481282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).