1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine

C9H14F3NO — CID 102647826

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-4-7(13)8-3-1-2-6-14-8/h3,7H,1-2,4-6,13H2
InChIKeyZPERVTRWVNOAKC-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.35
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 102647826) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID102647826
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-4-7(13)8-3-1-2-6-14-8/h3,7H,1-2,4-6,13H2
InChIKeyZPERVTRWVNOAKC-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine (CID 102647826) is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is ZPERVTRWVNOAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-4-7(13)8-3-1-2-6-14-8/h3,7H,1-2,4-6,13H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 209.21 g/mol, XLogP of 2.35, 3 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-6-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 102647826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).