1,3,5-trifluoropentane

C5H9F3 — CID 87247793

IUPAC1,3,5-trifluoropentane
SMILESFCCC(F)CCF
InChIInChI=1S/C5H9F3/c6-3-1-5(8)2-4-7/h5H,1-4H2
InChIKeyNMVCSLPHTHXYMA-UHFFFAOYSA-N
MW126.12 g/mol
LogP2.04
Rot. Bonds4

About 1,3,5-trifluoropentane

1,3,5-trifluoropentane (PubChem CID 87247793) has the molecular formula C5H9F3 and a molecular weight of 126.12 g/mol. Its IUPAC name is 1,3,5-trifluoropentane.

Molecular Properties

Compound Name1,3,5-trifluoropentane
PubChem CID87247793
Molecular FormulaC5H9F3
Molecular Weight126.12 g/mol
Exact Mass126.07
IUPAC Name1,3,5-trifluoropentane
SMILESFCCC(F)CCF
InChIInChI=1S/C5H9F3/c6-3-1-5(8)2-4-7/h5H,1-4H2
InChIKeyNMVCSLPHTHXYMA-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoropentane?
The IUPAC name of 1,3,5-trifluoropentane (CID 87247793) is 1,3,5-trifluoropentane.
What is the SMILES notation for 1,3,5-trifluoropentane?
The canonical SMILES for 1,3,5-trifluoropentane is FCCC(F)CCF.
What is the InChIKey of 1,3,5-trifluoropentane?
The InChIKey is NMVCSLPHTHXYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3/c6-3-1-5(8)2-4-7/h5H,1-4H2.
What are the key properties of 1,3,5-trifluoropentane?
1,3,5-trifluoropentane has a molecular weight of 126.12 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoropentane is sourced from PubChem (CID 87247793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).