1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene

C13H14F4O — CID 23539864

IUPAC1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
SMILESFC1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F4O/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-13(15,16)17/h3-4,7-9,11H,1-2,5-6H2
InChIKeyYLPCPXSOQSGDOT-UHFFFAOYSA-N
MW262.25 g/mol
LogP4.58
Rot. Bonds2

About 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene

1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene (PubChem CID 23539864) has the molecular formula C13H14F4O and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
PubChem CID23539864
Molecular FormulaC13H14F4O
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
SMILESFC1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F4O/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-13(15,16)17/h3-4,7-9,11H,1-2,5-6H2
InChIKeyYLPCPXSOQSGDOT-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene (CID 23539864) is 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene is FC1CCC(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene?
The InChIKey is YLPCPXSOQSGDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-13(15,16)17/h3-4,7-9,11H,1-2,5-6H2.
What are the key properties of 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene?
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene has a molecular weight of 262.25 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 23539864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).