1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C11H15F6NO — CID 103312262

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(C1=COCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-2-18-8(7-4-3-5-19-6-7)9(10(12,13)14)11(15,16)17/h6,8-9,18H,2-5H2,1H3
InChIKeyVEQVNGQXCOQEIL-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.40
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312262) has the molecular formula C11H15F6NO and a molecular weight of 291.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103312262
Molecular FormulaC11H15F6NO
Molecular Weight291.24 g/mol
Exact Mass291.11
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(C1=COCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-2-18-8(7-4-3-5-19-6-7)9(10(12,13)14)11(15,16)17/h6,8-9,18H,2-5H2,1H3
InChIKeyVEQVNGQXCOQEIL-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
CID 105033012
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 105033009
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 105033154
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179246
N-[(4-chloro-2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105033083
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
CID 116717301
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
[1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxypropyl]hydrazine
CID 105222718
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103312262) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is CCNC(C1=COCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is VEQVNGQXCOQEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO/c1-2-18-8(7-4-3-5-19-6-7)9(10(12,13)14)11(15,16)17/h6,8-9,18H,2-5H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 291.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).