2-fluorobutane;1,1,1-trifluoro-2-methylbutane

C9H18F4 — CID 90968971

IUPAC2-fluorobutane;1,1,1-trifluoro-2-methylbutane
SMILESCCC(C)C(F)(F)F.CCC(C)F
InChIInChI=1S/C5H9F3.C4H9F/c1-3-4(2)5(6,7)8;1-3-4(2)5/h4H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyGUBYRCUSBUEZFU-UHFFFAOYSA-N
MW202.23 g/mol
LogP4.35
Rot. Bonds2

About 2-fluorobutane;1,1,1-trifluoro-2-methylbutane

2-fluorobutane;1,1,1-trifluoro-2-methylbutane (PubChem CID 90968971) has the molecular formula C9H18F4 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-fluorobutane;1,1,1-trifluoro-2-methylbutane.

Molecular Properties

Compound Name2-fluorobutane;1,1,1-trifluoro-2-methylbutane
PubChem CID90968971
Molecular FormulaC9H18F4
Molecular Weight202.23 g/mol
Exact Mass202.13
IUPAC Name2-fluorobutane;1,1,1-trifluoro-2-methylbutane
SMILESCCC(C)C(F)(F)F.CCC(C)F
InChIInChI=1S/C5H9F3.C4H9F/c1-3-4(2)5(6,7)8;1-3-4(2)5/h4H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyGUBYRCUSBUEZFU-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobutane;1,1,1-trifluoro-2-methylbutane?
The IUPAC name of 2-fluorobutane;1,1,1-trifluoro-2-methylbutane (CID 90968971) is 2-fluorobutane;1,1,1-trifluoro-2-methylbutane.
What is the SMILES notation for 2-fluorobutane;1,1,1-trifluoro-2-methylbutane?
The canonical SMILES for 2-fluorobutane;1,1,1-trifluoro-2-methylbutane is CCC(C)C(F)(F)F.CCC(C)F.
What is the InChIKey of 2-fluorobutane;1,1,1-trifluoro-2-methylbutane?
The InChIKey is GUBYRCUSBUEZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3.C4H9F/c1-3-4(2)5(6,7)8;1-3-4(2)5/h4H,3H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 2-fluorobutane;1,1,1-trifluoro-2-methylbutane?
2-fluorobutane;1,1,1-trifluoro-2-methylbutane has a molecular weight of 202.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutane;1,1,1-trifluoro-2-methylbutane is sourced from PubChem (CID 90968971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).