N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline

C11H5F12N — CID 15496127

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H5F12N/c12-7(13,14)5-2-1-3-6(4-5)24-8(9(15,16)17,10(18,19)20)11(21,22)23/h1-4,24H
InChIKeyLRGJMRYPFQCWMC-UHFFFAOYSA-N
MW379.14 g/mol
LogP5.54
Rot. Bonds2

About N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline

N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline (PubChem CID 15496127) has the molecular formula C11H5F12N and a molecular weight of 379.14 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
PubChem CID15496127
Molecular FormulaC11H5F12N
Molecular Weight379.14 g/mol
Exact Mass379.02
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H5F12N/c12-7(13,14)5-2-1-3-6(4-5)24-8(9(15,16)17,10(18,19)20)11(21,22)23/h1-4,24H
InChIKeyLRGJMRYPFQCWMC-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.14
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
CID 102081817
[3-(trifluoromethyl)phenyl]aluminum(2+)
CID 87243472
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
CID 126697090
N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 3038368
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-[3-(trifluoromethyl)phenyl]triazol-2-amine
CID 152577416
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline (CID 15496127) is N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline?
The InChIKey is LRGJMRYPFQCWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F12N/c12-7(13,14)5-2-1-3-6(4-5)24-8(9(15,16)17,10(18,19)20)11(21,22)23/h1-4,24H.
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline?
N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline has a molecular weight of 379.14 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 15496127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).