2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline

C13H17F4N — CID 22637585

IUPAC2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C13H17F4N/c1-4-6-18(7-5-2)13-10(15)8(3)9(14)11(16)12(13)17/h4-7H2,1-3H3
InChIKeySURIUBDMAQGZSG-UHFFFAOYSA-N
MW263.28 g/mol
LogP4.18
Rot. Bonds5

About 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline

2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline (PubChem CID 22637585) has the molecular formula C13H17F4N and a molecular weight of 263.28 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline
PubChem CID22637585
Molecular FormulaC13H17F4N
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C13H17F4N/c1-4-6-18(7-5-2)13-10(15)8(3)9(14)11(16)12(13)17/h4-7H2,1-3H3
InChIKeySURIUBDMAQGZSG-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

boric acid;tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene);tris(2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline)
CID 173225240
2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol
CID 61425430
2,3,4,5,6-pentafluoro-N-nonadecyl-N-octadecylaniline
CID 175415242
2,3,4,5-tetrafluoro-N-hexyl-6-(2,3,4,5,6-pentafluorophenyl)-N-propylaniline
CID 141039655
2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol
CID 61447886
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
N,N'-bis(2,3,4,5,6-pentamethylphenyl)-N,N'-dipropylmethanediamine
CID 144715356
4-(chloromethyl)-2,6-difluoro-N,N-dipropylaniline
CID 63539614
2-(dipropylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
CID 3050970
2,4,6-trimethyl-N,N-dipropylaniline
CID 50937082
4-(dibutylamino)-3,5,6-trifluorobenzene-1,2-dicarbonitrile
CID 139814154
2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline
CID 166974271

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline?
The IUPAC name of 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline (CID 22637585) is 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline is CCCN(CCC)c1c(F)c(C)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline?
The InChIKey is SURIUBDMAQGZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N/c1-4-6-18(7-5-2)13-10(15)8(3)9(14)11(16)12(13)17/h4-7H2,1-3H3.
What are the key properties of 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline?
2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline has a molecular weight of 263.28 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline is sourced from PubChem (CID 22637585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).