(2R,4S)-4-fluoro-2-propan-2-yloxane

C8H15FO — CID 154718108

IUPAC(2R,4S)-4-fluoro-2-propan-2-yloxane
SMILESCC(C)[C@H]1C[C@@H](F)CCO1
InChIInChI=1S/C8H15FO/c1-6(2)8-5-7(9)3-4-10-8/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyPPPHPQLQYRJWKD-JGVFFNPUSA-N
MW146.20 g/mol
LogP2.16
Rot. Bonds1

About (2R,4S)-4-fluoro-2-propan-2-yloxane

(2R,4S)-4-fluoro-2-propan-2-yloxane (PubChem CID 154718108) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-propan-2-yloxane.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-propan-2-yloxane
PubChem CID154718108
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name(2R,4S)-4-fluoro-2-propan-2-yloxane
SMILESCC(C)[C@H]1C[C@@H](F)CCO1
InChIInChI=1S/C8H15FO/c1-6(2)8-5-7(9)3-4-10-8/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyPPPHPQLQYRJWKD-JGVFFNPUSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
2-Methyl-3-propyltetrahydropyran
CID 57486098
(2S,5R)-2-tert-butyl-5-methyloxane
CID 90348358
2-Methyl-3-amyltetrahydropyran
CID 129789661
3-Methyl-6-propyltetrahydropyran
CID 129806384
[Fluoro(propan-2-yloxy)methyl]cyclohexane
CID 19850336
(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane
CID 58241376
2,2-Difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-propan-2-yloxane?
The IUPAC name of (2R,4S)-4-fluoro-2-propan-2-yloxane (CID 154718108) is (2R,4S)-4-fluoro-2-propan-2-yloxane.
What is the SMILES notation for (2R,4S)-4-fluoro-2-propan-2-yloxane?
The canonical SMILES for (2R,4S)-4-fluoro-2-propan-2-yloxane is CC(C)[C@H]1C[C@@H](F)CCO1.
What is the InChIKey of (2R,4S)-4-fluoro-2-propan-2-yloxane?
The InChIKey is PPPHPQLQYRJWKD-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15FO/c1-6(2)8-5-7(9)3-4-10-8/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-2-propan-2-yloxane?
(2R,4S)-4-fluoro-2-propan-2-yloxane has a molecular weight of 146.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-2-propan-2-yloxane is sourced from PubChem (CID 154718108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).