2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline

C13H15F4NO — CID 107643580

IUPAC2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H15F4NO/c1-19-10-5-3-2-4-9(10)18-13-11(16)7(14)6-8(15)12(13)17/h6,9-10,18H,2-5H2,1H3
InChIKeyGYEXVINHZYXYJW-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.61
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline

2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline (PubChem CID 107643580) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline
PubChem CID107643580
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H15F4NO/c1-19-10-5-3-2-4-9(10)18-13-11(16)7(14)6-8(15)12(13)17/h6,9-10,18H,2-5H2,1H3
InChIKeyGYEXVINHZYXYJW-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
CID 65468907
2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine
CID 102559514
N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
CID 54861611
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643882
4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
CID 63449328
2-(2,3,5,6-tetrafluoroanilino)cycloheptane-1-carbonitrile
CID 107644498
4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785721
2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833
2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoic acid
CID 62089002
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline (CID 107643580) is 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline?
The InChIKey is GYEXVINHZYXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-19-10-5-3-2-4-9(10)18-13-11(16)7(14)6-8(15)12(13)17/h6,9-10,18H,2-5H2,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline?
2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline has a molecular weight of 277.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 107643580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).