N-butan-2-yl-3,5-difluoroaniline

C10H13F2N — CID 43196032

IUPACN-butan-2-yl-3,5-difluoroaniline
SMILESCCC(C)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2N/c1-3-7(2)13-10-5-8(11)4-9(12)6-10/h4-7,13H,3H2,1-2H3
InChIKeyCOMRVYVDRZFPOL-UHFFFAOYSA-N
MW185.22 g/mol
LogP3.18
Rot. Bonds3

About N-butan-2-yl-3,5-difluoroaniline

N-butan-2-yl-3,5-difluoroaniline (PubChem CID 43196032) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is N-butan-2-yl-3,5-difluoroaniline.

Molecular Properties

Compound NameN-butan-2-yl-3,5-difluoroaniline
PubChem CID43196032
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC NameN-butan-2-yl-3,5-difluoroaniline
SMILESCCC(C)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2N/c1-3-7(2)13-10-5-8(11)4-9(12)6-10/h4-7,13H,3H2,1-2H3
InChIKeyCOMRVYVDRZFPOL-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-difluoroanilino)butanenitrile
CID 60913129
1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
CID 115506451
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79678033
5-(butan-2-ylamino)benzene-1,3-dicarboxylic acid
CID 79694524
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
3-N-(3-ethylpentan-2-yl)-5-fluorobenzene-1,3-diamine
CID 63844106
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
N-butan-2-yl-2,3,5,6-tetrafluoroaniline
CID 107644089
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
CID 115928729
3-fluoro-5-nitro-N-pentan-2-ylaniline
CID 60876122

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,5-difluoroaniline?
The IUPAC name of N-butan-2-yl-3,5-difluoroaniline (CID 43196032) is N-butan-2-yl-3,5-difluoroaniline.
What is the SMILES notation for N-butan-2-yl-3,5-difluoroaniline?
The canonical SMILES for N-butan-2-yl-3,5-difluoroaniline is CCC(C)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-butan-2-yl-3,5-difluoroaniline?
The InChIKey is COMRVYVDRZFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-3-7(2)13-10-5-8(11)4-9(12)6-10/h4-7,13H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-3,5-difluoroaniline?
N-butan-2-yl-3,5-difluoroaniline has a molecular weight of 185.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,5-difluoroaniline is sourced from PubChem (CID 43196032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).