1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine

C10H11F6NO2 — CID 102723192

IUPAC1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO2/c1-17-4-6-2-3-18-7(6)5-19-8(9(11,12)13)10(14,15)16/h2-3,8,17H,4-5H2,1H3
InChIKeyCTCCUJOQUWNXLM-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.01
Rot. Bonds5

About 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine

1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine (PubChem CID 102723192) has the molecular formula C10H11F6NO2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
PubChem CID102723192
Molecular FormulaC10H11F6NO2
Molecular Weight291.19 g/mol
Exact Mass291.07
IUPAC Name1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO2/c1-17-4-6-2-3-18-7(6)5-19-8(9(11,12)13)10(14,15)16/h2-3,8,17H,4-5H2,1H3
InChIKeyCTCCUJOQUWNXLM-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine (CID 102723192) is 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine is CNCc1ccoc1COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine?
The InChIKey is CTCCUJOQUWNXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO2/c1-17-4-6-2-3-18-7(6)5-19-8(9(11,12)13)10(14,15)16/h2-3,8,17H,4-5H2,1H3.
What are the key properties of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine?
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine has a molecular weight of 291.19 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102723192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).