4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline

C12H14F3N — CID 174168371

IUPAC4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline
SMILESC=C(Nc1ccc(C(C)C)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-8(2)10-4-6-11(7-5-10)16-9(3)12(13,14)15/h4-8,16H,3H2,1-2H3
InChIKeyOTFVXHGIVQQUQT-UHFFFAOYSA-N
MW229.24 g/mol
LogP4.30
Rot. Bonds3

About 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline

4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline (PubChem CID 174168371) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline.

Molecular Properties

Compound Name4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline
PubChem CID174168371
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline
SMILESC=C(Nc1ccc(C(C)C)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-8(2)10-4-6-11(7-5-10)16-9(3)12(13,14)15/h4-8,16H,3H2,1-2H3
InChIKeyOTFVXHGIVQQUQT-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 19649224
1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine
CID 170967473
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-propan-2-ylphenyl)nonanamide
CID 4172851
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
O-methyl N-(4-propan-2-ylphenyl)carbamothioate
CID 2803934
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline?
The IUPAC name of 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline (CID 174168371) is 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline.
What is the SMILES notation for 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline?
The canonical SMILES for 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline is C=C(Nc1ccc(C(C)C)cc1)C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline?
The InChIKey is OTFVXHGIVQQUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8(2)10-4-6-11(7-5-10)16-9(3)12(13,14)15/h4-8,16H,3H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline?
4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline has a molecular weight of 229.24 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline is sourced from PubChem (CID 174168371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).