5-chloro-2-fluoro-N-nonan-2-ylaniline

C15H23ClFN — CID 43381901

IUPAC5-chloro-2-fluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H23ClFN/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
InChIKeyJVHRKBVYCGTPCT-UHFFFAOYSA-N
MW271.81 g/mol
LogP5.64
Rot. Bonds8

About 5-chloro-2-fluoro-N-nonan-2-ylaniline

5-chloro-2-fluoro-N-nonan-2-ylaniline (PubChem CID 43381901) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-nonan-2-ylaniline
PubChem CID43381901
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name5-chloro-2-fluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H23ClFN/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
InChIKeyJVHRKBVYCGTPCT-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.81
LogP ≤ 55.64
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

2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
2-fluoro-5-methylsulfonyl-N-nonan-2-ylaniline
CID 43717653
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
2-fluoro-N-heptan-2-yl-5-methylsulfonylaniline
CID 43717574
methyl 4-fluoro-3-(nonan-2-ylamino)benzoate
CID 43684456
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
CID 43737653
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
4-chloro-2-nitro-N-octan-2-ylaniline
CID 43686347
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-nonan-2-ylaniline?
The IUPAC name of 5-chloro-2-fluoro-N-nonan-2-ylaniline (CID 43381901) is 5-chloro-2-fluoro-N-nonan-2-ylaniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-nonan-2-ylaniline?
The canonical SMILES for 5-chloro-2-fluoro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-nonan-2-ylaniline?
The InChIKey is JVHRKBVYCGTPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/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 5-chloro-2-fluoro-N-nonan-2-ylaniline?
5-chloro-2-fluoro-N-nonan-2-ylaniline has a molecular weight of 271.81 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-nonan-2-ylaniline is sourced from PubChem (CID 43381901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).