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

C5H11F — CID 134832740

IUPAC(2S)-2-fluoro-3-methylbutane
SMILESCC(C)[C@H](C)F
InChIInChI=1S/C5H11F/c1-4(2)5(3)6/h4-5H,1-3H3/t5-/m0/s1
InChIKeyJXCNTLHKVMUETO-YFKPBYRVSA-N
MW90.14 g/mol
LogP2.00
Rot. Bonds1

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

(2S)-2-fluoro-3-methylbutane (PubChem CID 134832740) has the molecular formula C5H11F and a molecular weight of 90.14 g/mol. Its IUPAC name is (2S)-2-fluoro-3-methylbutane.

Molecular Properties

Compound Name(2S)-2-fluoro-3-methylbutane
PubChem CID134832740
Molecular FormulaC5H11F
Molecular Weight90.14 g/mol
Exact Mass90.08
IUPAC Name(2S)-2-fluoro-3-methylbutane
SMILESCC(C)[C@H](C)F
InChIInChI=1S/C5H11F/c1-4(2)5(3)6/h4-5H,1-3H3/t5-/m0/s1
InChIKeyJXCNTLHKVMUETO-YFKPBYRVSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.14
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-methylbutane?
The IUPAC name of (2S)-2-fluoro-3-methylbutane (CID 134832740) is (2S)-2-fluoro-3-methylbutane.
What is the SMILES notation for (2S)-2-fluoro-3-methylbutane?
The canonical SMILES for (2S)-2-fluoro-3-methylbutane is CC(C)[C@H](C)F.
What is the InChIKey of (2S)-2-fluoro-3-methylbutane?
The InChIKey is JXCNTLHKVMUETO-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11F/c1-4(2)5(3)6/h4-5H,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-methylbutane?
(2S)-2-fluoro-3-methylbutane has a molecular weight of 90.14 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-methylbutane is sourced from PubChem (CID 134832740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).