2,3-bis(2-fluorocyclohexyl)oxirane

C14H22F2O — CID 21447555

IUPAC2,3-bis(2-fluorocyclohexyl)oxirane
SMILESFC1CCCCC1C1OC1C1CCCCC1F
InChIInChI=1S/C14H22F2O/c15-11-7-3-1-5-9(11)13-14(17-13)10-6-2-4-8-12(10)16/h9-14H,1-8H2
InChIKeyUQTJKPSRIVXZCE-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.81
Rot. Bonds2

About 2,3-bis(2-fluorocyclohexyl)oxirane

2,3-bis(2-fluorocyclohexyl)oxirane (PubChem CID 21447555) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is 2,3-bis(2-fluorocyclohexyl)oxirane.

Molecular Properties

Compound Name2,3-bis(2-fluorocyclohexyl)oxirane
PubChem CID21447555
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name2,3-bis(2-fluorocyclohexyl)oxirane
SMILESFC1CCCCC1C1OC1C1CCCCC1F
InChIInChI=1S/C14H22F2O/c15-11-7-3-1-5-9(11)13-14(17-13)10-6-2-4-8-12(10)16/h9-14H,1-8H2
InChIKeyUQTJKPSRIVXZCE-UHFFFAOYSA-N
XLogP3.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2S,6R)-2,6-dicyclohexyl-4-fluorooxane
CID 46242411
2-Cyclohexyl-2,3-difluorooxirane
CID 12634315
2,3-Bis[1-(trifluoromethyl)cyclohexyl]oxirane
CID 21447521
(5-Cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane
CID 57089438
1-(3-Cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane
CID 57198172
1-(5-Cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane
CID 57253877
1-(3-Cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane
CID 57274192
1-(5-Cyclohexyloxy-3,3-difluoropentyl)-4-propylcyclohexane
CID 57299421
2-Cyclohexyl-4-fluorooxane
CID 73083100
2,3-Dicyclohexyl-2,3-difluorooxirane
CID 87247506

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-fluorocyclohexyl)oxirane?
The IUPAC name of 2,3-bis(2-fluorocyclohexyl)oxirane (CID 21447555) is 2,3-bis(2-fluorocyclohexyl)oxirane.
What is the SMILES notation for 2,3-bis(2-fluorocyclohexyl)oxirane?
The canonical SMILES for 2,3-bis(2-fluorocyclohexyl)oxirane is FC1CCCCC1C1OC1C1CCCCC1F.
What is the InChIKey of 2,3-bis(2-fluorocyclohexyl)oxirane?
The InChIKey is UQTJKPSRIVXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O/c15-11-7-3-1-5-9(11)13-14(17-13)10-6-2-4-8-12(10)16/h9-14H,1-8H2.
What are the key properties of 2,3-bis(2-fluorocyclohexyl)oxirane?
2,3-bis(2-fluorocyclohexyl)oxirane has a molecular weight of 244.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-fluorocyclohexyl)oxirane is sourced from PubChem (CID 21447555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).