[(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol

C10H19FO2 — CID 142391371

IUPAC[(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol
SMILESCCC(C)C1COCC[C@@]1(F)CO
InChIInChI=1S/C10H19FO2/c1-3-8(2)9-6-13-5-4-10(9,11)7-12/h8-9,12H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyNEPGKJMLXDDKLY-UDNWOFFPSA-N
MW190.26 g/mol
LogP1.77
Rot. Bonds3

About [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol

[(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol (PubChem CID 142391371) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol
PubChem CID142391371
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name[(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol
SMILESCCC(C)C1COCC[C@@]1(F)CO
InChIInChI=1S/C10H19FO2/c1-3-8(2)9-6-13-5-4-10(9,11)7-12/h8-9,12H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyNEPGKJMLXDDKLY-UDNWOFFPSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylbutyl)oxan-4-yl]methanol
CID 66024312
3-butan-2-yloxolane;ethane
CID 143988733
3-butan-2-yl-1,5,9-trioxaspiro[5.5]undecane
CID 70895234
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
CID 104554785
2-(4,4-difluorooxan-3-yl)ethanol
CID 165442667
4-butan-2-yloxolan-3-ol
CID 147418216
3-oxabicyclo[4.1.0]heptan-6-ylmethanol
CID 131073665
(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
2-butan-2-yl-1-ethylcyclohexan-1-ol
CID 154099705
2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 155062842

Frequently Asked Questions

What is the IUPAC name of [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol?
The IUPAC name of [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol (CID 142391371) is [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol.
What is the SMILES notation for [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol?
The canonical SMILES for [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol is CCC(C)C1COCC[C@@]1(F)CO.
What is the InChIKey of [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol?
The InChIKey is NEPGKJMLXDDKLY-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H19FO2/c1-3-8(2)9-6-13-5-4-10(9,11)7-12/h8-9,12H,3-7H2,1-2H3/t8?,9?,10-/m1/s1.
What are the key properties of [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol?
[(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol has a molecular weight of 190.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol is sourced from PubChem (CID 142391371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).