4-ethyl-1-fluoroheptane

C9H19F — CID 174734694

IUPAC4-ethyl-1-fluoroheptane
SMILESCCCC(CC)CCCF
InChIInChI=1S/C9H19F/c1-3-6-9(4-2)7-5-8-10/h9H,3-8H2,1-2H3
InChIKeyXLLQBAWFYTZUPZ-UHFFFAOYSA-N
MW146.25 g/mol
LogP3.56
Rot. Bonds6

About 4-ethyl-1-fluoroheptane

4-ethyl-1-fluoroheptane (PubChem CID 174734694) has the molecular formula C9H19F and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-ethyl-1-fluoroheptane.

Molecular Properties

Compound Name4-ethyl-1-fluoroheptane
PubChem CID174734694
Molecular FormulaC9H19F
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name4-ethyl-1-fluoroheptane
SMILESCCCC(CC)CCCF
InChIInChI=1S/C9H19F/c1-3-6-9(4-2)7-5-8-10/h9H,3-8H2,1-2H3
InChIKeyXLLQBAWFYTZUPZ-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethylnonane;5-propylnonane
CID 157441807
4-ethylheptane;methane
CID 143165373
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
5-ethyloctan-1-ol
CID 22492547
8-(3-ethylhexyl)hexadecane
CID 123944120
10-ethyl-2-methyltridecane
CID 173195663
18-ethylhenicosan-1-ol
CID 87097708
11-ethyl-3-methyltetradecane
CID 123200411
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-fluoroheptane?
The IUPAC name of 4-ethyl-1-fluoroheptane (CID 174734694) is 4-ethyl-1-fluoroheptane.
What is the SMILES notation for 4-ethyl-1-fluoroheptane?
The canonical SMILES for 4-ethyl-1-fluoroheptane is CCCC(CC)CCCF.
What is the InChIKey of 4-ethyl-1-fluoroheptane?
The InChIKey is XLLQBAWFYTZUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F/c1-3-6-9(4-2)7-5-8-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-1-fluoroheptane?
4-ethyl-1-fluoroheptane has a molecular weight of 146.25 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-fluoroheptane is sourced from PubChem (CID 174734694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).