N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine

C6H8F3NO — CID 129272931

IUPACN-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NCC1=CCCO1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)10-4-5-2-1-3-11-5/h2,10H,1,3-4H2
InChIKeyPVJMKNUPRHKXLE-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.40
Rot. Bonds2

About N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine

N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine (PubChem CID 129272931) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine.

Molecular Properties

Compound NameN-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine
PubChem CID129272931
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NCC1=CCCO1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)10-4-5-2-1-3-11-5/h2,10H,1,3-4H2
InChIKeyPVJMKNUPRHKXLE-UHFFFAOYSA-N
XLogP1.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine?
The IUPAC name of N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine (CID 129272931) is N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine.
What is the SMILES notation for N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine?
The canonical SMILES for N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine is FC(F)(F)NCC1=CCCO1.
What is the InChIKey of N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine?
The InChIKey is PVJMKNUPRHKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)10-4-5-2-1-3-11-5/h2,10H,1,3-4H2.
What are the key properties of N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine?
N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine has a molecular weight of 167.13 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine is sourced from PubChem (CID 129272931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).