2,6-difluoro-N-octan-2-ylaniline

C14H21F2N — CID 11356906

IUPAC2,6-difluoro-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1c(F)cccc1F
InChIInChI=1S/C14H21F2N/c1-3-4-5-6-8-11(2)17-14-12(15)9-7-10-13(14)16/h7,9-11,17H,3-6,8H2,1-2H3
InChIKeyLOKBZTXWVAOFLD-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.74
Rot. Bonds7

About 2,6-difluoro-N-octan-2-ylaniline

2,6-difluoro-N-octan-2-ylaniline (PubChem CID 11356906) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 2,6-difluoro-N-octan-2-ylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-octan-2-ylaniline
PubChem CID11356906
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name2,6-difluoro-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1c(F)cccc1F
InChIInChI=1S/C14H21F2N/c1-3-4-5-6-8-11(2)17-14-12(15)9-7-10-13(14)16/h7,9-11,17H,3-6,8H2,1-2H3
InChIKeyLOKBZTXWVAOFLD-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
2,6-dichloro-N-octan-2-ylaniline
CID 65469716
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598
3,5-difluoro-4-(octan-2-ylamino)benzenecarbothioamide
CID 81285443
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
2-chloro-4,6-difluoro-N-nonan-2-ylaniline
CID 83081084
N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
CID 60688234

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-octan-2-ylaniline?
The IUPAC name of 2,6-difluoro-N-octan-2-ylaniline (CID 11356906) is 2,6-difluoro-N-octan-2-ylaniline.
What is the SMILES notation for 2,6-difluoro-N-octan-2-ylaniline?
The canonical SMILES for 2,6-difluoro-N-octan-2-ylaniline is CCCCCCC(C)Nc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-octan-2-ylaniline?
The InChIKey is LOKBZTXWVAOFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-4-5-6-8-11(2)17-14-12(15)9-7-10-13(14)16/h7,9-11,17H,3-6,8H2,1-2H3.
What are the key properties of 2,6-difluoro-N-octan-2-ylaniline?
2,6-difluoro-N-octan-2-ylaniline has a molecular weight of 241.32 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-octan-2-ylaniline is sourced from PubChem (CID 11356906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).