N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline

C17H22F7NO — CID 156764657

IUPACN,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline
SMILESCCN(CC)c1ccccc1C(C)(CC(F)(C(F)(F)F)C(F)(F)F)OC
InChIInChI=1S/C17H22F7NO/c1-5-25(6-2)13-10-8-7-9-12(13)14(3,26-4)11-15(18,16(19,20)21)17(22,23)24/h7-10H,5-6,11H2,1-4H3
InChIKeyQFQRSEHVCFUUJJ-UHFFFAOYSA-N
MW389.36 g/mol
LogP5.62
Rot. Bonds7

About N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline

N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline (PubChem CID 156764657) has the molecular formula C17H22F7NO and a molecular weight of 389.36 g/mol. Its IUPAC name is N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline
PubChem CID156764657
Molecular FormulaC17H22F7NO
Molecular Weight389.36 g/mol
Exact Mass389.16
IUPAC NameN,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline
SMILESCCN(CC)c1ccccc1C(C)(CC(F)(C(F)(F)F)C(F)(F)F)OC
InChIInChI=1S/C17H22F7NO/c1-5-25(6-2)13-10-8-7-9-12(13)14(3,26-4)11-15(18,16(19,20)21)17(22,23)24/h7-10H,5-6,11H2,1-4H3
InChIKeyQFQRSEHVCFUUJJ-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156764039
ethyl 2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzoate
CID 156763938
1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156764554
1-ethoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156763296
1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156765584
1-propyl-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156765872
1-chloro-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156764253
1-iodo-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156765217
1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene
CID 156765928
1-methoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156765653
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
1-propoxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156763303

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline?
The IUPAC name of N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline (CID 156764657) is N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline.
What is the SMILES notation for N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline?
The canonical SMILES for N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline is CCN(CC)c1ccccc1C(C)(CC(F)(C(F)(F)F)C(F)(F)F)OC.
What is the InChIKey of N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline?
The InChIKey is QFQRSEHVCFUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F7NO/c1-5-25(6-2)13-10-8-7-9-12(13)14(3,26-4)11-15(18,16(19,20)21)17(22,23)24/h7-10H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline?
N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline has a molecular weight of 389.36 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline is sourced from PubChem (CID 156764657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).