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

C9H12F3NO — CID 63947980

IUPACN-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccoc1
InChIInChI=1S/C9H12F3NO/c1-2-13-8(5-9(10,11)12)7-3-4-14-6-7/h3-4,6,8,13H,2,5H2,1H3
InChIKeyWAMYOBWNPNSJAN-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.88
Rot. Bonds4

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

N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine (PubChem CID 63947980) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
PubChem CID63947980
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccoc1
InChIInChI=1S/C9H12F3NO/c1-2-13-8(5-9(10,11)12)7-3-4-14-6-7/h3-4,6,8,13H,2,5H2,1H3
InChIKeyWAMYOBWNPNSJAN-UHFFFAOYSA-N
XLogP2.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine (CID 63947980) is N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine is CCNC(CC(F)(F)F)c1ccoc1.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The InChIKey is WAMYOBWNPNSJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-2-13-8(5-9(10,11)12)7-3-4-14-6-7/h3-4,6,8,13H,2,5H2,1H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine is sourced from PubChem (CID 63947980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).