2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline

C10H9F6NO — CID 102721568

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline
SMILESCc1ccc(OC(C(F)(F)F)C(F)(F)F)c(N)c1
InChIInChI=1S/C10H9F6NO/c1-5-2-3-7(6(17)4-5)18-8(9(11,12)13)10(14,15)16/h2-4,8H,17H2,1H3
InChIKeyOEYWKSFNHOPNQC-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.45
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline (PubChem CID 102721568) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline
PubChem CID102721568
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline
SMILESCc1ccc(OC(C(F)(F)F)C(F)(F)F)c(N)c1
InChIInChI=1S/C10H9F6NO/c1-5-2-3-7(6(17)4-5)18-8(9(11,12)13)10(14,15)16/h2-4,8H,17H2,1H3
InChIKeyOEYWKSFNHOPNQC-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.45
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

2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline
CID 163491350
2-(2,2-difluoroethoxy)-5-methylaniline
CID 19622888
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
2-[(3R)-heptan-3-yl]oxy-5-methylaniline
CID 40788232
3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
5-iodo-2-(1,1,1-trifluoropropan-2-yloxy)aniline
CID 66277141
1-(2-amino-4-methylphenoxy)propane-1-sulfonic acid
CID 87293830
2-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
(2-amino-4-methylphenyl) methyl carbonate
CID 130705115
2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332
2-(2-tert-butyl-4-methylphenoxy)-3,3,4,4,4-pentafluorobutan-1-amine
CID 165439977

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline (CID 102721568) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline is Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c(N)c1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline?
The InChIKey is OEYWKSFNHOPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-5-2-3-7(6(17)4-5)18-8(9(11,12)13)10(14,15)16/h2-4,8H,17H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline has a molecular weight of 273.18 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline is sourced from PubChem (CID 102721568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).