2,5-difluoro-N-nonan-2-ylaniline

C15H23F2N — CID 43129763

IUPAC2,5-difluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-3-4-5-6-7-8-12(2)18-15-11-13(16)9-10-14(15)17/h9-12,18H,3-8H2,1-2H3
InChIKeyCJIHJZCDYHVDHR-UHFFFAOYSA-N
MW255.35 g/mol
LogP5.13
Rot. Bonds8

About 2,5-difluoro-N-nonan-2-ylaniline

2,5-difluoro-N-nonan-2-ylaniline (PubChem CID 43129763) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2,5-difluoro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2,5-difluoro-N-nonan-2-ylaniline
PubChem CID43129763
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2,5-difluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-3-4-5-6-7-8-12(2)18-15-11-13(16)9-10-14(15)17/h9-12,18H,3-8H2,1-2H3
InChIKeyCJIHJZCDYHVDHR-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.35
LogP ≤ 55.13
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

5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
2-fluoro-5-methylsulfonyl-N-nonan-2-ylaniline
CID 43717653
2-bromo-4-fluoro-N-heptan-2-ylaniline
CID 43119311
2-fluoro-N-heptan-2-yl-5-methylsulfonylaniline
CID 43717574
methyl 4-fluoro-3-(nonan-2-ylamino)benzoate
CID 43684456
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
4-bromo-2-fluoro-N-nonan-2-ylaniline
CID 63419505
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
3,5-difluoro-2-nitro-N-octan-2-ylaniline
CID 115507826

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-nonan-2-ylaniline?
The IUPAC name of 2,5-difluoro-N-nonan-2-ylaniline (CID 43129763) is 2,5-difluoro-N-nonan-2-ylaniline.
What is the SMILES notation for 2,5-difluoro-N-nonan-2-ylaniline?
The canonical SMILES for 2,5-difluoro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-nonan-2-ylaniline?
The InChIKey is CJIHJZCDYHVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-4-5-6-7-8-12(2)18-15-11-13(16)9-10-14(15)17/h9-12,18H,3-8H2,1-2H3.
What are the key properties of 2,5-difluoro-N-nonan-2-ylaniline?
2,5-difluoro-N-nonan-2-ylaniline has a molecular weight of 255.35 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-nonan-2-ylaniline is sourced from PubChem (CID 43129763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).