3-(fluoromethyl)heptane

C8H17F — CID 13022399

IUPAC3-(fluoromethyl)heptane
SMILESCCCCC(CC)CF
InChIInChI=1S/C8H17F/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKeyVXJUQOFYOYFWPX-UHFFFAOYSA-N
MW132.22 g/mol
LogP3.17
Rot. Bonds5

About 3-(fluoromethyl)heptane

3-(fluoromethyl)heptane (PubChem CID 13022399) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is 3-(fluoromethyl)heptane.

Molecular Properties

Compound Name3-(fluoromethyl)heptane
PubChem CID13022399
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name3-(fluoromethyl)heptane
SMILESCCCCC(CC)CF
InChIInChI=1S/C8H17F/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKeyVXJUQOFYOYFWPX-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)heptane?
The IUPAC name of 3-(fluoromethyl)heptane (CID 13022399) is 3-(fluoromethyl)heptane.
What is the SMILES notation for 3-(fluoromethyl)heptane?
The canonical SMILES for 3-(fluoromethyl)heptane is CCCCC(CC)CF.
What is the InChIKey of 3-(fluoromethyl)heptane?
The InChIKey is VXJUQOFYOYFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3.
What are the key properties of 3-(fluoromethyl)heptane?
3-(fluoromethyl)heptane has a molecular weight of 132.22 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)heptane is sourced from PubChem (CID 13022399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).