3-ethyl-3-fluoro-1-methoxy-4-methylpentane

C9H19FO — CID 171505999

IUPAC3-ethyl-3-fluoro-1-methoxy-4-methylpentane
SMILESCCC(F)(CCOC)C(C)C
InChIInChI=1S/C9H19FO/c1-5-9(10,8(2)3)6-7-11-4/h8H,5-7H2,1-4H3
InChIKeyMXKYKKVEXXRMFC-UHFFFAOYSA-N
MW162.25 g/mol
LogP2.80
Rot. Bonds5

About 3-ethyl-3-fluoro-1-methoxy-4-methylpentane

3-ethyl-3-fluoro-1-methoxy-4-methylpentane (PubChem CID 171505999) has the molecular formula C9H19FO and a molecular weight of 162.25 g/mol. Its IUPAC name is 3-ethyl-3-fluoro-1-methoxy-4-methylpentane.

Molecular Properties

Compound Name3-ethyl-3-fluoro-1-methoxy-4-methylpentane
PubChem CID171505999
Molecular FormulaC9H19FO
Molecular Weight162.25 g/mol
Exact Mass162.14
IUPAC Name3-ethyl-3-fluoro-1-methoxy-4-methylpentane
SMILESCCC(F)(CCOC)C(C)C
InChIInChI=1S/C9H19FO/c1-5-9(10,8(2)3)6-7-11-4/h8H,5-7H2,1-4H3
InChIKeyMXKYKKVEXXRMFC-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-fluoro-1-methoxy-4-methylpentane?
The IUPAC name of 3-ethyl-3-fluoro-1-methoxy-4-methylpentane (CID 171505999) is 3-ethyl-3-fluoro-1-methoxy-4-methylpentane.
What is the SMILES notation for 3-ethyl-3-fluoro-1-methoxy-4-methylpentane?
The canonical SMILES for 3-ethyl-3-fluoro-1-methoxy-4-methylpentane is CCC(F)(CCOC)C(C)C.
What is the InChIKey of 3-ethyl-3-fluoro-1-methoxy-4-methylpentane?
The InChIKey is MXKYKKVEXXRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO/c1-5-9(10,8(2)3)6-7-11-4/h8H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-3-fluoro-1-methoxy-4-methylpentane?
3-ethyl-3-fluoro-1-methoxy-4-methylpentane has a molecular weight of 162.25 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-fluoro-1-methoxy-4-methylpentane is sourced from PubChem (CID 171505999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).