4-ethyl-4-fluoroheptane;propane

C12H27F — CID 171657626

IUPAC4-ethyl-4-fluoroheptane;propane
SMILESCCC.CCCC(F)(CC)CCC
InChIInChI=1S/C9H19F.C3H8/c1-4-7-9(10,6-3)8-5-2;1-3-2/h4-8H2,1-3H3;3H2,1-2H3
InChIKeyQFRZCFYQEILWIV-UHFFFAOYSA-N
MW190.35 g/mol
LogP5.12
Rot. Bonds5

About 4-ethyl-4-fluoroheptane;propane

4-ethyl-4-fluoroheptane;propane (PubChem CID 171657626) has the molecular formula C12H27F and a molecular weight of 190.35 g/mol. Its IUPAC name is 4-ethyl-4-fluoroheptane;propane.

Molecular Properties

Compound Name4-ethyl-4-fluoroheptane;propane
PubChem CID171657626
Molecular FormulaC12H27F
Molecular Weight190.35 g/mol
Exact Mass190.21
IUPAC Name4-ethyl-4-fluoroheptane;propane
SMILESCCC.CCCC(F)(CC)CCC
InChIInChI=1S/C9H19F.C3H8/c1-4-7-9(10,6-3)8-5-2;1-3-2/h4-8H2,1-3H3;3H2,1-2H3
InChIKeyQFRZCFYQEILWIV-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500190.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 155261680
azane;1,1,1-trifluorobutane;hydrochloride
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CID 112567666
2-ethyl-2-fluorodecan-1-ol
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1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
8-ethyl-8-fluoro-2-methyltetradec-1-ene
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3,4,4-trifluoroheptane;hydrofluoride
CID 90932672
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
2,2-difluoropentylsilane
CID 173372570
6-butyl-6-fluoroundecane
CID 11424735
2-ethyl-2-fluoro-N,N-dimethylbutan-1-amine
CID 177186880

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-fluoroheptane;propane?
The IUPAC name of 4-ethyl-4-fluoroheptane;propane (CID 171657626) is 4-ethyl-4-fluoroheptane;propane.
What is the SMILES notation for 4-ethyl-4-fluoroheptane;propane?
The canonical SMILES for 4-ethyl-4-fluoroheptane;propane is CCC.CCCC(F)(CC)CCC.
What is the InChIKey of 4-ethyl-4-fluoroheptane;propane?
The InChIKey is QFRZCFYQEILWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F.C3H8/c1-4-7-9(10,6-3)8-5-2;1-3-2/h4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of 4-ethyl-4-fluoroheptane;propane?
4-ethyl-4-fluoroheptane;propane has a molecular weight of 190.35 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-fluoroheptane;propane is sourced from PubChem (CID 171657626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).