N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine

C10H14F3NO — CID 64565171

IUPACN-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C10H14F3NO/c1-2-14-9(3-5-10(11,12)13)8-4-6-15-7-8/h4,6-7,9,14H,2-3,5H2,1H3
InChIKeyXQZXNANQLYENPN-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine (PubChem CID 64565171) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine
PubChem CID64565171
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C10H14F3NO/c1-2-14-9(3-5-10(11,12)13)8-4-6-15-7-8/h4,6-7,9,14H,2-3,5H2,1H3
InChIKeyXQZXNANQLYENPN-UHFFFAOYSA-N
XLogP3.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine (CID 64565171) is N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine is CCNC(CCC(F)(F)F)c1ccoc1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine?
The InChIKey is XQZXNANQLYENPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-14-9(3-5-10(11,12)13)8-4-6-15-7-8/h4,6-7,9,14H,2-3,5H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine has a molecular weight of 221.22 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine is sourced from PubChem (CID 64565171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).