(2S)-2-(fluoromethyl)oxane

C6H11FO — CID 126712338

IUPAC(2S)-2-(fluoromethyl)oxane
SMILESFC[C@@H]1CCCCO1
InChIInChI=1S/C6H11FO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2/t6-/m0/s1
InChIKeyNYQKOKIUSPAORM-LURJTMIESA-N
MW118.15 g/mol
LogP1.52
Rot. Bonds1

About (2S)-2-(fluoromethyl)oxane

(2S)-2-(fluoromethyl)oxane (PubChem CID 126712338) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)oxane.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)oxane
PubChem CID126712338
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name(2S)-2-(fluoromethyl)oxane
SMILESFC[C@@H]1CCCCO1
InChIInChI=1S/C6H11FO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2/t6-/m0/s1
InChIKeyNYQKOKIUSPAORM-LURJTMIESA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(oxan-2-ylmethyl)oxane
CID 67860654
[(2S)-oxan-2-yl]methanol
CID 6950811
(2S)-2-(bromomethyl)oxane
CID 13022883
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
ethanol;oxan-2-ylmethanol
CID 66900182
(2R)-2-(2-methylpropyl)oxane
CID 58653197
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574
2-fluoro-3-(oxan-2-yl)propanal
CID 105431408
2-(3-bromo-2-fluoropropyl)oxane
CID 122239838
2-[(2-fluorophenyl)methyl]oxane
CID 20724373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)oxane?
The IUPAC name of (2S)-2-(fluoromethyl)oxane (CID 126712338) is (2S)-2-(fluoromethyl)oxane.
What is the SMILES notation for (2S)-2-(fluoromethyl)oxane?
The canonical SMILES for (2S)-2-(fluoromethyl)oxane is FC[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-(fluoromethyl)oxane?
The InChIKey is NYQKOKIUSPAORM-LURJTMIESA-N. The full InChI is InChI=1S/C6H11FO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2/t6-/m0/s1.
What are the key properties of (2S)-2-(fluoromethyl)oxane?
(2S)-2-(fluoromethyl)oxane has a molecular weight of 118.15 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)oxane is sourced from PubChem (CID 126712338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).