(2S,6R)-2,6-dicyclohexyl-4-fluorooxane

C17H29FO — CID 46242411

IUPAC(2S,6R)-2,6-dicyclohexyl-4-fluorooxane
SMILESFC1C[C@@H](C2CCCCC2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C17H29FO/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h13-17H,1-12H2/t15?,16-,17+
InChIKeyPQZNEHYNLRJUKH-ALOPSCKCSA-N
MW268.42 g/mol
LogP5.03
Rot. Bonds2

About (2S,6R)-2,6-dicyclohexyl-4-fluorooxane

(2S,6R)-2,6-dicyclohexyl-4-fluorooxane (PubChem CID 46242411) has the molecular formula C17H29FO and a molecular weight of 268.42 g/mol. Its IUPAC name is (2S,6R)-2,6-dicyclohexyl-4-fluorooxane.

Molecular Properties

Compound Name(2S,6R)-2,6-dicyclohexyl-4-fluorooxane
PubChem CID46242411
Molecular FormulaC17H29FO
Molecular Weight268.42 g/mol
Exact Mass268.22
IUPAC Name(2S,6R)-2,6-dicyclohexyl-4-fluorooxane
SMILESFC1C[C@@H](C2CCCCC2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C17H29FO/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h13-17H,1-12H2/t15?,16-,17+
InChIKeyPQZNEHYNLRJUKH-ALOPSCKCSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
Dodecahydro-1H-xanthene
CID 12456125
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(1R,4aS,8aS)-1-cyclohexyl-6-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154713783
(1R,4aS,8aS)-6-fluoro-1-heptyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154716801
a-Cyclohexyltetrahydropyran
CID 15620793
1-Ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18344108
1-(Fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 21337837
2,3-Bis(2-fluorocyclohexyl)oxirane
CID 21447555
1-(2-Fluoroethoxy)-4-[2-(4-pentylcyclohexyl)ethyl]cyclohexane
CID 53834376
1-(4-Cyclohexyloxy-3-fluorobutyl)-4-pentylcyclohexane
CID 53979955
6-[4-(3,3-Difluoro-4-methylcyclohexyl)cyclohexyl]-2,2-difluoro-3-methyloxane
CID 53980929

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dicyclohexyl-4-fluorooxane?
The IUPAC name of (2S,6R)-2,6-dicyclohexyl-4-fluorooxane (CID 46242411) is (2S,6R)-2,6-dicyclohexyl-4-fluorooxane.
What is the SMILES notation for (2S,6R)-2,6-dicyclohexyl-4-fluorooxane?
The canonical SMILES for (2S,6R)-2,6-dicyclohexyl-4-fluorooxane is FC1C[C@@H](C2CCCCC2)O[C@@H](C2CCCCC2)C1.
What is the InChIKey of (2S,6R)-2,6-dicyclohexyl-4-fluorooxane?
The InChIKey is PQZNEHYNLRJUKH-ALOPSCKCSA-N. The full InChI is InChI=1S/C17H29FO/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h13-17H,1-12H2/t15?,16-,17+.
What are the key properties of (2S,6R)-2,6-dicyclohexyl-4-fluorooxane?
(2S,6R)-2,6-dicyclohexyl-4-fluorooxane has a molecular weight of 268.42 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dicyclohexyl-4-fluorooxane is sourced from PubChem (CID 46242411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).