2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline

C11H11F6NO3 — CID 102721644

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OC(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C11H11F6NO3/c1-19-7-3-5(18)6(4-8(7)20-2)21-9(10(12,13)14)11(15,16)17/h3-4,9H,18H2,1-2H3
InChIKeyGDMGRMSROPHSIC-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.16
Rot. Bonds4

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline (PubChem CID 102721644) has the molecular formula C11H11F6NO3 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline
PubChem CID102721644
Molecular FormulaC11H11F6NO3
Molecular Weight319.20 g/mol
Exact Mass319.06
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OC(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C11H11F6NO3/c1-19-7-3-5(18)6(4-8(7)20-2)21-9(10(12,13)14)11(15,16)17/h3-4,9H,18H2,1-2H3
InChIKeyGDMGRMSROPHSIC-UHFFFAOYSA-N
XLogP3.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline
CID 102721568
4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline
CID 83008789
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
CID 83008446
2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine
CID 162535431
2-ethoxy-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)aniline
CID 102721653
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-2-methoxyaniline
CID 66511544
2-bromo-4-(difluoromethoxy)-5-methoxyaniline
CID 68604722
1,1,1-trifluoro-3-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 132588692
2-tert-butylsulfanyl-4,5-dimethoxyaniline
CID 83008107

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline (CID 102721644) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline is COc1cc(N)c(OC(C(F)(F)F)C(F)(F)F)cc1OC.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline?
The InChIKey is GDMGRMSROPHSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO3/c1-19-7-3-5(18)6(4-8(7)20-2)21-9(10(12,13)14)11(15,16)17/h3-4,9H,18H2,1-2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline has a molecular weight of 319.20 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline is sourced from PubChem (CID 102721644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).