(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane

C10H22F2 — CID 159156264

IUPAC(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
SMILESCC(C)[C@@H](C)F.CC(C)[C@H](C)F
InChIInChI=1S/2C5H11F/c2*1-4(2)5(3)6/h2*4-5H,1-3H3/t2*5-/m10/s1
InChIKeyKJXTZRGYIIQRGO-JZLFTLSWSA-N
MW180.28 g/mol
LogP4.00
Rot. Bonds2

About (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane

(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane (PubChem CID 159156264) has the molecular formula C10H22F2 and a molecular weight of 180.28 g/mol. Its IUPAC name is (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane.

Molecular Properties

Compound Name(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
PubChem CID159156264
Molecular FormulaC10H22F2
Molecular Weight180.28 g/mol
Exact Mass180.17
IUPAC Name(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
SMILESCC(C)[C@@H](C)F.CC(C)[C@H](C)F
InChIInChI=1S/2C5H11F/c2*1-4(2)5(3)6/h2*4-5H,1-3H3/t2*5-/m10/s1
InChIKeyKJXTZRGYIIQRGO-JZLFTLSWSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane?
The IUPAC name of (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane (CID 159156264) is (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane.
What is the SMILES notation for (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane?
The canonical SMILES for (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane is CC(C)[C@@H](C)F.CC(C)[C@H](C)F.
What is the InChIKey of (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane?
The InChIKey is KJXTZRGYIIQRGO-JZLFTLSWSA-N. The full InChI is InChI=1S/2C5H11F/c2*1-4(2)5(3)6/h2*4-5H,1-3H3/t2*5-/m10/s1.
What are the key properties of (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane?
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane has a molecular weight of 180.28 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane is sourced from PubChem (CID 159156264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).