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

C9H14F3NO — CID 143080457

IUPAC3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCC1CCC=C(C(N)CC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO/c1-6-3-2-4-8(14-6)7(13)5-9(10,11)12/h4,6-7H,2-3,5,13H2,1H3
InChIKeyWUCNJVHOYXZDKW-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.35
Rot. Bonds2

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

3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine (PubChem CID 143080457) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
PubChem CID143080457
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCC1CCC=C(C(N)CC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO/c1-6-3-2-4-8(14-6)7(13)5-9(10,11)12/h4,6-7H,2-3,5,13H2,1H3
InChIKeyWUCNJVHOYXZDKW-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.35
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
(1S)-2-fluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 70658442
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;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine
CID 143080518
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

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine (CID 143080457) is 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine is CC1CCC=C(C(N)CC(F)(F)F)O1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The InChIKey is WUCNJVHOYXZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6-3-2-4-8(14-6)7(13)5-9(10,11)12/h4,6-7H,2-3,5,13H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine has a molecular weight of 209.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine is sourced from PubChem (CID 143080457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).