2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline

C14H18F3NO — CID 172674976

IUPAC2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline
SMILESNc1cc(OCC(F)(F)F)ccc1C1CCCCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)9-19-11-6-7-12(13(18)8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9,18H2
InChIKeyIOMRBYMSCSZKBZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.26
Rot. Bonds3

About 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline

2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline (PubChem CID 172674976) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline
PubChem CID172674976
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline
SMILESNc1cc(OCC(F)(F)F)ccc1C1CCCCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)9-19-11-6-7-12(13(18)8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9,18H2
InChIKeyIOMRBYMSCSZKBZ-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-5-fluoroaniline
CID 19754670
4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
CID 134691211
(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091185
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686729
2-cyclohexyl-4-(trifluoromethyl)aniline
CID 117104242
2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674950
[2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane
CID 150790120
1-(cyclohexylmethyl)-2-methyl-5-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrrole
CID 141092287
2-(2-fluoro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674944
N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 141068066
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
2-(3-propan-2-ylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674959

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline (CID 172674976) is 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline is Nc1cc(OCC(F)(F)F)ccc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is IOMRBYMSCSZKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)9-19-11-6-7-12(13(18)8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9,18H2.
What are the key properties of 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline?
2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 273.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 172674976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).