1,2,5-trifluoropentane

C5H9F3 — CID 87247739

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

About 1,2,5-trifluoropentane

1,2,5-trifluoropentane (PubChem CID 87247739) has the molecular formula C5H9F3 and a molecular weight of 126.12 g/mol. Its IUPAC name is 1,2,5-trifluoropentane.

Molecular Properties

Compound Name1,2,5-trifluoropentane
PubChem CID87247739
Molecular FormulaC5H9F3
Molecular Weight126.12 g/mol
Exact Mass126.07
IUPAC Name1,2,5-trifluoropentane
SMILESFCCCC(F)CF
InChIInChI=1S/C5H9F3/c6-3-1-2-5(8)4-7/h5H,1-4H2
InChIKeyXVTHJGGTKFKRBY-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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Related Compounds

2,5-difluoro-1-iodopentane
CID 175232085
1,7-difluorononane
CID 168864708
1,1-dibromo-4-fluorobutane
CID 54091383
1,1-dichloro-4-fluorobutane
CID 22321169
(3S)-1,3-difluoroheptane
CID 148515317
2-(3-fluoropropyl)propane-1,3-diol
CID 14985208
1,6-difluoro-3-methylhexane
CID 146258834
2,3,6-trifluorohexane-1,1,1-triol
CID 166745250
4,5-diethyl-1-fluoroheptane
CID 123254760
1,8-difluorononane
CID 168864691
1,6-difluoroheptane
CID 139983024
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trifluoropentane?
The IUPAC name of 1,2,5-trifluoropentane (CID 87247739) is 1,2,5-trifluoropentane.
What is the SMILES notation for 1,2,5-trifluoropentane?
The canonical SMILES for 1,2,5-trifluoropentane is FCCCC(F)CF.
What is the InChIKey of 1,2,5-trifluoropentane?
The InChIKey is XVTHJGGTKFKRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3/c6-3-1-2-5(8)4-7/h5H,1-4H2.
What are the key properties of 1,2,5-trifluoropentane?
1,2,5-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 1,2,5-trifluoropentane is sourced from PubChem (CID 87247739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).