3-fluoro-3-(trifluoromethyl)pentane

C6H10F4 — CID 59742437

IUPAC3-fluoro-3-(trifluoromethyl)pentane
SMILESCCC(F)(CC)C(F)(F)F
InChIInChI=1S/C6H10F4/c1-3-5(7,4-2)6(8,9)10/h3-4H2,1-2H3
InChIKeyCRLAAXYUDCYEHK-UHFFFAOYSA-N
MW158.14 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-3-(trifluoromethyl)pentane

3-fluoro-3-(trifluoromethyl)pentane (PubChem CID 59742437) has the molecular formula C6H10F4 and a molecular weight of 158.14 g/mol. Its IUPAC name is 3-fluoro-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-fluoro-3-(trifluoromethyl)pentane
PubChem CID59742437
Molecular FormulaC6H10F4
Molecular Weight158.14 g/mol
Exact Mass158.07
IUPAC Name3-fluoro-3-(trifluoromethyl)pentane
SMILESCCC(F)(CC)C(F)(F)F
InChIInChI=1S/C6H10F4/c1-3-5(7,4-2)6(8,9)10/h3-4H2,1-2H3
InChIKeyCRLAAXYUDCYEHK-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(trifluoromethyl)pentane?
The IUPAC name of 3-fluoro-3-(trifluoromethyl)pentane (CID 59742437) is 3-fluoro-3-(trifluoromethyl)pentane.
What is the SMILES notation for 3-fluoro-3-(trifluoromethyl)pentane?
The canonical SMILES for 3-fluoro-3-(trifluoromethyl)pentane is CCC(F)(CC)C(F)(F)F.
What is the InChIKey of 3-fluoro-3-(trifluoromethyl)pentane?
The InChIKey is CRLAAXYUDCYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4/c1-3-5(7,4-2)6(8,9)10/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-(trifluoromethyl)pentane?
3-fluoro-3-(trifluoromethyl)pentane has a molecular weight of 158.14 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(trifluoromethyl)pentane is sourced from PubChem (CID 59742437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).