(2S,4R)-2-cyclohexyl-4-fluorooxane

C11H19FO — CID 11745349

IUPAC(2S,4R)-2-cyclohexyl-4-fluorooxane
SMILESF[C@@H]1CCO[C@H](C2CCCCC2)C1
InChIInChI=1S/C11H19FO/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11+/m1/s1
InChIKeyNXIRWWJMQRRPEK-MNOVXSKESA-N
MW186.27 g/mol
LogP3.08
Rot. Bonds1

About (2S,4R)-2-cyclohexyl-4-fluorooxane

(2S,4R)-2-cyclohexyl-4-fluorooxane (PubChem CID 11745349) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (2S,4R)-2-cyclohexyl-4-fluorooxane.

Molecular Properties

Compound Name(2S,4R)-2-cyclohexyl-4-fluorooxane
PubChem CID11745349
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name(2S,4R)-2-cyclohexyl-4-fluorooxane
SMILESF[C@@H]1CCO[C@H](C2CCCCC2)C1
InChIInChI=1S/C11H19FO/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11+/m1/s1
InChIKeyNXIRWWJMQRRPEK-MNOVXSKESA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Oxadecalin
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(2R,4S)-2-cyclohexyl-4-fluorooxane
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(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
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2-Cyclohexyl-4-fluorooxolane
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(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
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(2S,6R)-2,6-dicyclohexyl-4-fluorooxane
CID 46242411
4-Fluoro-1-oxaspiro[5.5]undecane
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4-Fluoro-4-methyl-2-oxaspiro[5.5]undecane
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(1R,4aS,8aS)-1-cyclohexyl-6-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-cyclohexyl-4-fluorooxane?
The IUPAC name of (2S,4R)-2-cyclohexyl-4-fluorooxane (CID 11745349) is (2S,4R)-2-cyclohexyl-4-fluorooxane.
What is the SMILES notation for (2S,4R)-2-cyclohexyl-4-fluorooxane?
The canonical SMILES for (2S,4R)-2-cyclohexyl-4-fluorooxane is F[C@@H]1CCO[C@H](C2CCCCC2)C1.
What is the InChIKey of (2S,4R)-2-cyclohexyl-4-fluorooxane?
The InChIKey is NXIRWWJMQRRPEK-MNOVXSKESA-N. The full InChI is InChI=1S/C11H19FO/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-2-cyclohexyl-4-fluorooxane?
(2S,4R)-2-cyclohexyl-4-fluorooxane has a molecular weight of 186.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-cyclohexyl-4-fluorooxane is sourced from PubChem (CID 11745349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).