(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol

C5H9FO2 — CID 174197910

IUPAC(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol
SMILESC[C@H]1OC[C@H](F)[C@@H]1O
InChIInChI=1S/C5H9FO2/c1-3-5(7)4(6)2-8-3/h3-5,7H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyNLGNLBOAHKLBGH-MROZADKFSA-N
MW120.12 g/mol
LogP0.10
Rot. Bonds

About (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol

(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol (PubChem CID 174197910) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol
PubChem CID174197910
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol
SMILESC[C@H]1OC[C@H](F)[C@@H]1O
InChIInChI=1S/C5H9FO2/c1-3-5(7)4(6)2-8-3/h3-5,7H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyNLGNLBOAHKLBGH-MROZADKFSA-N
XLogP0.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol (CID 174197910) is (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol is C[C@H]1OC[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol?
The InChIKey is NLGNLBOAHKLBGH-MROZADKFSA-N. The full InChI is InChI=1S/C5H9FO2/c1-3-5(7)4(6)2-8-3/h3-5,7H,2H2,1H3/t3-,4+,5-/m1/s1.
What are the key properties of (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol?
(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol has a molecular weight of 120.12 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol is sourced from PubChem (CID 174197910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).