2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline

C13H17F4N — CID 116535087

IUPAC2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCc1cccc(F)c1NC(C)CCCC(F)(F)F
InChIInChI=1S/C13H17F4N/c1-9-5-3-7-11(14)12(9)18-10(2)6-4-8-13(15,16)17/h3,5,7,10,18H,4,6,8H2,1-2H3
InChIKeyJLVSBTBUJBRHIM-UHFFFAOYSA-N
MW263.28 g/mol
LogP4.67
Rot. Bonds5

About 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline

2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline (PubChem CID 116535087) has the molecular formula C13H17F4N and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
PubChem CID116535087
Molecular FormulaC13H17F4N
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCc1cccc(F)c1NC(C)CCCC(F)(F)F
InChIInChI=1S/C13H17F4N/c1-9-5-3-7-11(14)12(9)18-10(2)6-4-8-13(15,16)17/h3,5,7,10,18H,4,6,8H2,1-2H3
InChIKeyJLVSBTBUJBRHIM-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
4-bromo-2,6-difluoro-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534853
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
CID 116534583
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
4-methylsulfanyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116533990
2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)benzoic acid
CID 116534463
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534013
3-methyl-4-(6,6,6-trifluorohexan-2-ylamino)benzoic acid
CID 116534457
4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The IUPAC name of 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline (CID 116535087) is 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline.
What is the SMILES notation for 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The canonical SMILES for 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline is Cc1cccc(F)c1NC(C)CCCC(F)(F)F.
What is the InChIKey of 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The InChIKey is JLVSBTBUJBRHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N/c1-9-5-3-7-11(14)12(9)18-10(2)6-4-8-13(15,16)17/h3,5,7,10,18H,4,6,8H2,1-2H3.
What are the key properties of 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline has a molecular weight of 263.28 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline is sourced from PubChem (CID 116535087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).