4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane

C13H27F — CID 167184895

IUPAC4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
SMILESCCCC(C)(F)C(C)(C(C)C)C(C)C
InChIInChI=1S/C13H27F/c1-8-9-12(6,14)13(7,10(2)3)11(4)5/h10-11H,8-9H2,1-7H3
InChIKeyCJROEZLGJRKWJI-UHFFFAOYSA-N
MW202.36 g/mol
LogP4.83
Rot. Bonds5

About 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane

4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane (PubChem CID 167184895) has the molecular formula C13H27F and a molecular weight of 202.36 g/mol. Its IUPAC name is 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane.

Molecular Properties

Compound Name4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
PubChem CID167184895
Molecular FormulaC13H27F
Molecular Weight202.36 g/mol
Exact Mass202.21
IUPAC Name4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
SMILESCCCC(C)(F)C(C)(C(C)C)C(C)C
InChIInChI=1S/C13H27F/c1-8-9-12(6,14)13(7,10(2)3)11(4)5/h10-11H,8-9H2,1-7H3
InChIKeyCJROEZLGJRKWJI-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane?
The IUPAC name of 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane (CID 167184895) is 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane.
What is the SMILES notation for 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane?
The canonical SMILES for 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane is CCCC(C)(F)C(C)(C(C)C)C(C)C.
What is the InChIKey of 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane?
The InChIKey is CJROEZLGJRKWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F/c1-8-9-12(6,14)13(7,10(2)3)11(4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane?
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane has a molecular weight of 202.36 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane is sourced from PubChem (CID 167184895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).