3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine

C9H12F3NO — CID 60695393

IUPAC3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
SMILESFC(F)(F)CCNCCc1ccco1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)4-6-13-5-3-8-2-1-7-14-8/h1-2,7,13H,3-6H2
InChIKeyKLNNJISHZOROLW-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.36
Rot. Bonds5

About 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine

3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 60695393) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID60695393
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
SMILESFC(F)(F)CCNCCc1ccco1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)4-6-13-5-3-8-2-1-7-14-8/h1-2,7,13H,3-6H2
InChIKeyKLNNJISHZOROLW-UHFFFAOYSA-N
XLogP2.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
CID 105156341
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
CID 114384896
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
2-(2,2,2-trifluoroethyl)furan
CID 67627445
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
CID 115651461
2-(furan-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60695276
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 82889367

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine (CID 60695393) is 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine is FC(F)(F)CCNCCc1ccco1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is KLNNJISHZOROLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)4-6-13-5-3-8-2-1-7-14-8/h1-2,7,13H,3-6H2.
What are the key properties of 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 60695393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).