2,6-difluoro-N-heptan-2-ylaniline

C13H19F2N — CID 43123890

IUPAC2,6-difluoro-N-heptan-2-ylaniline
SMILESCCCCCC(C)Nc1c(F)cccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-5-7-10(2)16-13-11(14)8-6-9-12(13)15/h6,8-10,16H,3-5,7H2,1-2H3
InChIKeyCTCHMLUMARSHQM-UHFFFAOYSA-N
MW227.30 g/mol
LogP4.35
Rot. Bonds6

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

2,6-difluoro-N-heptan-2-ylaniline (PubChem CID 43123890) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,6-difluoro-N-heptan-2-ylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-heptan-2-ylaniline
PubChem CID43123890
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,6-difluoro-N-heptan-2-ylaniline
SMILESCCCCCC(C)Nc1c(F)cccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-5-7-10(2)16-13-11(14)8-6-9-12(13)15/h6,8-10,16H,3-5,7H2,1-2H3
InChIKeyCTCHMLUMARSHQM-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 54.35
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-octan-2-ylaniline
CID 11356906
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
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
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058
3-fluoro-N-heptan-2-yl-2-nitroaniline
CID 55220443
N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
CID 60688234
2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine
CID 62196418
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-heptan-2-ylaniline?
The IUPAC name of 2,6-difluoro-N-heptan-2-ylaniline (CID 43123890) is 2,6-difluoro-N-heptan-2-ylaniline.
What is the SMILES notation for 2,6-difluoro-N-heptan-2-ylaniline?
The canonical SMILES for 2,6-difluoro-N-heptan-2-ylaniline is CCCCCC(C)Nc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-heptan-2-ylaniline?
The InChIKey is CTCHMLUMARSHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-4-5-7-10(2)16-13-11(14)8-6-9-12(13)15/h6,8-10,16H,3-5,7H2,1-2H3.
What are the key properties of 2,6-difluoro-N-heptan-2-ylaniline?
2,6-difluoro-N-heptan-2-ylaniline has a molecular weight of 227.30 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-heptan-2-ylaniline is sourced from PubChem (CID 43123890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).