1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C8H9F6NO — CID 103312385

IUPAC1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1=CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-2-1-3-16-4/h2,5-6H,1,3,15H2
InChIKeyWVEHFYROIPBBRA-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312385) has the molecular formula C8H9F6NO and a molecular weight of 249.15 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103312385
Molecular FormulaC8H9F6NO
Molecular Weight249.15 g/mol
Exact Mass249.06
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1=CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-2-1-3-16-4/h2,5-6H,1,3,15H2
InChIKeyWVEHFYROIPBBRA-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 102651351
1-(2,3-Dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 102651936
1-(2,3-Dihydrofuran-5-yl)-2,2,2-trifluoroethanamine
CID 102653593
1-(2,3-Dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147992
3-(2,2-Difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
CID 103148847
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216540
1-(2,3-Dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216546
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312381
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312382
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312386

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103312385) is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is NC(C1=CCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is WVEHFYROIPBBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO/c9-7(10,11)6(8(12,13)14)5(15)4-2-1-3-16-4/h2,5-6H,1,3,15H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 249.15 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).