7-(fluoromethyl)pentadecane

C16H33F — CID 12030558

IUPAC7-(fluoromethyl)pentadecane
SMILESCCCCCCCCC(CF)CCCCCC
InChIInChI=1S/C16H33F/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeyOAQNEGHQILZUIZ-UHFFFAOYSA-N
MW244.44 g/mol
LogP6.29
Rot. Bonds13

About 7-(fluoromethyl)pentadecane

7-(fluoromethyl)pentadecane (PubChem CID 12030558) has the molecular formula C16H33F and a molecular weight of 244.44 g/mol. Its IUPAC name is 7-(fluoromethyl)pentadecane.

Molecular Properties

Compound Name7-(fluoromethyl)pentadecane
PubChem CID12030558
Molecular FormulaC16H33F
Molecular Weight244.44 g/mol
Exact Mass244.26
IUPAC Name7-(fluoromethyl)pentadecane
SMILESCCCCCCCCC(CF)CCCCCC
InChIInChI=1S/C16H33F/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeyOAQNEGHQILZUIZ-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)pentadecane?
The IUPAC name of 7-(fluoromethyl)pentadecane (CID 12030558) is 7-(fluoromethyl)pentadecane.
What is the SMILES notation for 7-(fluoromethyl)pentadecane?
The canonical SMILES for 7-(fluoromethyl)pentadecane is CCCCCCCCC(CF)CCCCCC.
What is the InChIKey of 7-(fluoromethyl)pentadecane?
The InChIKey is OAQNEGHQILZUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3.
What are the key properties of 7-(fluoromethyl)pentadecane?
7-(fluoromethyl)pentadecane has a molecular weight of 244.44 g/mol, XLogP of 6.29, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)pentadecane is sourced from PubChem (CID 12030558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).