N-propan-2-yl-4-(trifluoromethyl)aniline

C10H12F3N — CID 15515079

IUPACN-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h3-7,14H,1-2H3
InChIKeyFCJVIALJMINVOV-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.53
Rot. Bonds2

About N-propan-2-yl-4-(trifluoromethyl)aniline

N-propan-2-yl-4-(trifluoromethyl)aniline (PubChem CID 15515079) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethyl)aniline
PubChem CID15515079
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h3-7,14H,1-2H3
InChIKeyFCJVIALJMINVOV-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of N-propan-2-yl-4-(trifluoromethyl)aniline (CID 15515079) is N-propan-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethyl)aniline is CC(C)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is FCJVIALJMINVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h3-7,14H,1-2H3.
What are the key properties of N-propan-2-yl-4-(trifluoromethyl)aniline?
N-propan-2-yl-4-(trifluoromethyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 15515079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).