1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine

C14H18F5N — CID 105024336

IUPAC1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
SMILESCCNC(CCCC(F)(F)F)Cc1c(F)cccc1F
InChIInChI=1S/C14H18F5N/c1-2-20-10(5-4-8-14(17,18)19)9-11-12(15)6-3-7-13(11)16/h3,6-7,10,20H,2,4-5,8-9H2,1H3
InChIKeyPTZSFMJYIQXCID-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.22
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine

1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine (PubChem CID 105024336) has the molecular formula C14H18F5N and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
PubChem CID105024336
Molecular FormulaC14H18F5N
Molecular Weight295.29 g/mol
Exact Mass295.14
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
SMILESCCNC(CCCC(F)(F)F)Cc1c(F)cccc1F
InChIInChI=1S/C14H18F5N/c1-2-20-10(5-4-8-14(17,18)19)9-11-12(15)6-3-7-13(11)16/h3,6-7,10,20H,2,4-5,8-9H2,1H3
InChIKeyPTZSFMJYIQXCID-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
CID 116534583
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932103
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine (CID 105024336) is 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine is CCNC(CCCC(F)(F)F)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
The InChIKey is PTZSFMJYIQXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5N/c1-2-20-10(5-4-8-14(17,18)19)9-11-12(15)6-3-7-13(11)16/h3,6-7,10,20H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine has a molecular weight of 295.29 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 105024336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).