2,3-difluoro-N-pentan-2-ylaniline

C11H15F2N — CID 61074639

IUPAC2,3-difluoro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(F)c1F
InChIInChI=1S/C11H15F2N/c1-3-5-8(2)14-10-7-4-6-9(12)11(10)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyMKUXNRBIYJGOGB-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.57
Rot. Bonds4

About 2,3-difluoro-N-pentan-2-ylaniline

2,3-difluoro-N-pentan-2-ylaniline (PubChem CID 61074639) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2,3-difluoro-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2,3-difluoro-N-pentan-2-ylaniline
PubChem CID61074639
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2,3-difluoro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(F)c1F
InChIInChI=1S/C11H15F2N/c1-3-5-8(2)14-10-7-4-6-9(12)11(10)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyMKUXNRBIYJGOGB-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-iodo-N-pentan-2-ylaniline
CID 130498396
3-chloro-1-N-pentan-2-ylbenzene-1,2-diamine
CID 104833946
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
2-(2,3-difluoroanilino)butanamide
CID 62900030
3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
3-fluoro-N-heptan-2-yl-2-nitroaniline
CID 55220443
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-pentan-2-ylaniline?
The IUPAC name of 2,3-difluoro-N-pentan-2-ylaniline (CID 61074639) is 2,3-difluoro-N-pentan-2-ylaniline.
What is the SMILES notation for 2,3-difluoro-N-pentan-2-ylaniline?
The canonical SMILES for 2,3-difluoro-N-pentan-2-ylaniline is CCCC(C)Nc1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-pentan-2-ylaniline?
The InChIKey is MKUXNRBIYJGOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-5-8(2)14-10-7-4-6-9(12)11(10)13/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of 2,3-difluoro-N-pentan-2-ylaniline?
2,3-difluoro-N-pentan-2-ylaniline has a molecular weight of 199.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-pentan-2-ylaniline is sourced from PubChem (CID 61074639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).