4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane

C12H25FO — CID 155020064

IUPAC4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane
SMILESCCCC(C)(CC)CC(C)(F)COC
InChIInChI=1S/C12H25FO/c1-6-8-11(3,7-2)9-12(4,13)10-14-5/h6-10H2,1-5H3
InChIKeyUPSWVTNJHBCPFB-UHFFFAOYSA-N
MW204.33 g/mol
LogP3.97
Rot. Bonds7

About 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane

4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane (PubChem CID 155020064) has the molecular formula C12H25FO and a molecular weight of 204.33 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane.

Molecular Properties

Compound Name4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane
PubChem CID155020064
Molecular FormulaC12H25FO
Molecular Weight204.33 g/mol
Exact Mass204.19
IUPAC Name4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane
SMILESCCCC(C)(CC)CC(C)(F)COC
InChIInChI=1S/C12H25FO/c1-6-8-11(3,7-2)9-12(4,13)10-14-5/h6-10H2,1-5H3
InChIKeyUPSWVTNJHBCPFB-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane?
The IUPAC name of 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane (CID 155020064) is 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane.
What is the SMILES notation for 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane?
The canonical SMILES for 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane is CCCC(C)(CC)CC(C)(F)COC.
What is the InChIKey of 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane?
The InChIKey is UPSWVTNJHBCPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO/c1-6-8-11(3,7-2)9-12(4,13)10-14-5/h6-10H2,1-5H3.
What are the key properties of 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane?
4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane has a molecular weight of 204.33 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-1-methoxy-2,4-dimethylheptane is sourced from PubChem (CID 155020064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).