2-chloro-4,6-difluoro-N-nonan-2-ylaniline

C15H22ClF2N — CID 83081084

IUPAC2-chloro-4,6-difluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H22ClF2N/c1-3-4-5-6-7-8-11(2)19-15-13(16)9-12(17)10-14(15)18/h9-11,19H,3-8H2,1-2H3
InChIKeyBSDSZWPIJMWFAB-UHFFFAOYSA-N
MW289.80 g/mol
LogP5.78
Rot. Bonds8

About 2-chloro-4,6-difluoro-N-nonan-2-ylaniline

2-chloro-4,6-difluoro-N-nonan-2-ylaniline (PubChem CID 83081084) has the molecular formula C15H22ClF2N and a molecular weight of 289.80 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-nonan-2-ylaniline
PubChem CID83081084
Molecular FormulaC15H22ClF2N
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Name2-chloro-4,6-difluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H22ClF2N/c1-3-4-5-6-7-8-11(2)19-15-13(16)9-12(17)10-14(15)18/h9-11,19H,3-8H2,1-2H3
InChIKeyBSDSZWPIJMWFAB-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.80
LogP ≤ 55.78
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-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline
CID 83082122
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
2,6-dichloro-N-octan-2-ylaniline
CID 65469716
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
3,5-difluoro-4-(octan-2-ylamino)benzenecarbothioamide
CID 81285443
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
2-chloro-4,6-difluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 83073633
2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine
CID 62196418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-nonan-2-ylaniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-nonan-2-ylaniline (CID 83081084) is 2-chloro-4,6-difluoro-N-nonan-2-ylaniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-nonan-2-ylaniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoro-N-nonan-2-ylaniline?
The InChIKey is BSDSZWPIJMWFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF2N/c1-3-4-5-6-7-8-11(2)19-15-13(16)9-12(17)10-14(15)18/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4,6-difluoro-N-nonan-2-ylaniline?
2-chloro-4,6-difluoro-N-nonan-2-ylaniline has a molecular weight of 289.80 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-nonan-2-ylaniline is sourced from PubChem (CID 83081084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).