ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine

C11H20F3NO — CID 143080456

IUPACethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCC.CC1CCC=C(C(N)CC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO.C2H6/c1-6-3-2-4-8(14-6)7(13)5-9(10,11)12;1-2/h4,6-7H,2-3,5,13H2,1H3;1-2H3
InChIKeySFRVIAFXERZSTB-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.38
Rot. Bonds2

About ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine

ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine (PubChem CID 143080456) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
PubChem CID143080456
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Nameethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCC.CC1CCC=C(C(N)CC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO.C2H6/c1-6-3-2-4-8(14-6)7(13)5-9(10,11)12;1-2/h4,6-7H,2-3,5,13H2,1H3;1-2H3
InChIKeySFRVIAFXERZSTB-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-fluoro-2-methyl-3,4-dihydro-2H-pyran-6-yl]methanamine
CID 60076854
2,2-Difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine
CID 89205781
(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89246179
(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
CID 142810124
ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810444
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
CID 142883593
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102647259
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 102647260
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102647261

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The IUPAC name of ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine (CID 143080456) is ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine.
What is the SMILES notation for ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The canonical SMILES for ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine is CC.CC1CCC=C(C(N)CC(F)(F)F)O1.
What is the InChIKey of ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The InChIKey is SFRVIAFXERZSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO.C2H6/c1-6-3-2-4-8(14-6)7(13)5-9(10,11)12;1-2/h4,6-7H,2-3,5,13H2,1H3;1-2H3.
What are the key properties of ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine is sourced from PubChem (CID 143080456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).