2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine

C12H14ClF3N2O — CID 139332064

IUPAC2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine
SMILESCCC1COc2c1cc(C(CN)C(F)(F)F)nc2Cl
InChIInChI=1S/C12H14ClF3N2O/c1-2-6-5-19-10-7(6)3-9(18-11(10)13)8(4-17)12(14,15)16/h3,6,8H,2,4-5,17H2,1H3
InChIKeyIZUOVYUBUYJJTN-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.23
Rot. Bonds3

About 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine

2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 139332064) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID139332064
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine
SMILESCCC1COc2c1cc(C(CN)C(F)(F)F)nc2Cl
InChIInChI=1S/C12H14ClF3N2O/c1-2-6-5-19-10-7(6)3-9(18-11(10)13)8(4-17)12(14,15)16/h3,6,8H,2,4-5,17H2,1H3
InChIKeyIZUOVYUBUYJJTN-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine with MolForge

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Related Compounds

[5-(3,5-Difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
CID 67962481
N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]propane-2-sulfinamide
CID 117924148
1-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2,2,2-trifluoroethanol
CID 117924178
3-(azidomethyl)-7-chloro-3-methyl-5-[(2S)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
CID 117924180
3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 117924181
3-amino-2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 117924210
N-[7-chloro-3-propan-2-yl-5-[2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 117924450
N-[7-chloro-3-propan-2-yl-5-(2,2,2-trifluoro-1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 117924472
N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 117924475
2-Amino-1-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanol
CID 117924713
4-(2-Azidoethyl)-2-chloro-3-ethoxy-6-[2-(trifluoromethyl)oxiran-2-yl]pyridine
CID 117924752
N-[7-chloro-3-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 117924807

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine (CID 139332064) is 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine is CCC1COc2c1cc(C(CN)C(F)(F)F)nc2Cl.
What is the InChIKey of 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is IZUOVYUBUYJJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-2-6-5-19-10-7(6)3-9(18-11(10)13)8(4-17)12(14,15)16/h3,6,8H,2,4-5,17H2,1H3.
What are the key properties of 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine?
2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 294.70 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 139332064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).