3-fluoro-2,3,5,5-tetramethylheptane

C11H23F — CID 89233452

IUPAC3-fluoro-2,3,5,5-tetramethylheptane
SMILESCCC(C)(C)CC(C)(F)C(C)C
InChIInChI=1S/C11H23F/c1-7-10(4,5)8-11(6,12)9(2)3/h9H,7-8H2,1-6H3
InChIKeyLMVJBSQMSZXGSV-UHFFFAOYSA-N
MW174.30 g/mol
LogP4.20
Rot. Bonds4

About 3-fluoro-2,3,5,5-tetramethylheptane

3-fluoro-2,3,5,5-tetramethylheptane (PubChem CID 89233452) has the molecular formula C11H23F and a molecular weight of 174.30 g/mol. Its IUPAC name is 3-fluoro-2,3,5,5-tetramethylheptane.

Molecular Properties

Compound Name3-fluoro-2,3,5,5-tetramethylheptane
PubChem CID89233452
Molecular FormulaC11H23F
Molecular Weight174.30 g/mol
Exact Mass174.18
IUPAC Name3-fluoro-2,3,5,5-tetramethylheptane
SMILESCCC(C)(C)CC(C)(F)C(C)C
InChIInChI=1S/C11H23F/c1-7-10(4,5)8-11(6,12)9(2)3/h9H,7-8H2,1-6H3
InChIKeyLMVJBSQMSZXGSV-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,3,5,5-tetramethylheptane?
The IUPAC name of 3-fluoro-2,3,5,5-tetramethylheptane (CID 89233452) is 3-fluoro-2,3,5,5-tetramethylheptane.
What is the SMILES notation for 3-fluoro-2,3,5,5-tetramethylheptane?
The canonical SMILES for 3-fluoro-2,3,5,5-tetramethylheptane is CCC(C)(C)CC(C)(F)C(C)C.
What is the InChIKey of 3-fluoro-2,3,5,5-tetramethylheptane?
The InChIKey is LMVJBSQMSZXGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F/c1-7-10(4,5)8-11(6,12)9(2)3/h9H,7-8H2,1-6H3.
What are the key properties of 3-fluoro-2,3,5,5-tetramethylheptane?
3-fluoro-2,3,5,5-tetramethylheptane has a molecular weight of 174.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,3,5,5-tetramethylheptane is sourced from PubChem (CID 89233452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).