N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline

C9H10F3N — CID 170589849

IUPACN-[(2R)-1,1,1-trifluoropropan-2-yl]aniline
SMILESC[C@@H](Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h2-7,13H,1H3/t7-/m1/s1
InChIKeyLSLVGADFPKPIJO-SSDOTTSWSA-N
MW189.18 g/mol
LogP3.05
Rot. Bonds2

About N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline

N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline (PubChem CID 170589849) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoropropan-2-yl]aniline
PubChem CID170589849
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-[(2R)-1,1,1-trifluoropropan-2-yl]aniline
SMILESC[C@@H](Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h2-7,13H,1H3/t7-/m1/s1
InChIKeyLSLVGADFPKPIJO-SSDOTTSWSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline?
The IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline (CID 170589849) is N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline?
The canonical SMILES for N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline is C[C@@H](Nc1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline?
The InChIKey is LSLVGADFPKPIJO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10F3N/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h2-7,13H,1H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline?
N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline has a molecular weight of 189.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline is sourced from PubChem (CID 170589849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).