4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline

C9H10F3NO — CID 66580012

IUPAC4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
SMILESC[C@@H](Oc1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-6(9(10,11)12)14-8-4-2-7(13)3-5-8/h2-6H,13H2,1H3/t6-/m1/s1
InChIKeyLRLUOCMEXLQOGO-ZCFIWIBFSA-N
MW205.18 g/mol
LogP2.60
Rot. Bonds2

About 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline

4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline (PubChem CID 66580012) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline.

Molecular Properties

Compound Name4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
PubChem CID66580012
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
SMILESC[C@@H](Oc1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-6(9(10,11)12)14-8-4-2-7(13)3-5-8/h2-6H,13H2,1H3/t6-/m1/s1
InChIKeyLRLUOCMEXLQOGO-ZCFIWIBFSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
CID 66274601
[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanamine;hydrochloride
CID 166667087
[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
CID 156808519
4-butan-2-yloxyaniline
CID 13097722
6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 66277354
4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
4-(difluoromethoxy)aniline
CID 737363
4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
CID 174979795
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994
N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 87336288
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
4-(4-aminobutan-2-yloxy)aniline
CID 156542424

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline?
The IUPAC name of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline (CID 66580012) is 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline.
What is the SMILES notation for 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline?
The canonical SMILES for 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline is C[C@@H](Oc1ccc(N)cc1)C(F)(F)F.
What is the InChIKey of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline?
The InChIKey is LRLUOCMEXLQOGO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(9(10,11)12)14-8-4-2-7(13)3-5-8/h2-6H,13H2,1H3/t6-/m1/s1.
What are the key properties of 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline?
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline has a molecular weight of 205.18 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline is sourced from PubChem (CID 66580012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).