methane;5-(trifluoromethyl)furan-2-amine

C6H8F3NO — CID 174679536

IUPACmethane;5-(trifluoromethyl)furan-2-amine
SMILESC.Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3NO.CH4/c6-5(7,8)3-1-2-4(9)10-3;/h1-2H,9H2;1H4
InChIKeyXMVQJVWRCOQTFH-UHFFFAOYSA-N
MW167.13 g/mol
LogP2.52
Rot. Bonds

About methane;5-(trifluoromethyl)furan-2-amine

methane;5-(trifluoromethyl)furan-2-amine (PubChem CID 174679536) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is methane;5-(trifluoromethyl)furan-2-amine.

Molecular Properties

Compound Namemethane;5-(trifluoromethyl)furan-2-amine
PubChem CID174679536
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Namemethane;5-(trifluoromethyl)furan-2-amine
SMILESC.Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3NO.CH4/c6-5(7,8)3-1-2-4(9)10-3;/h1-2H,9H2;1H4
InChIKeyXMVQJVWRCOQTFH-UHFFFAOYSA-N
XLogP2.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;5-(trifluoromethyl)furan-2-amine?
The IUPAC name of methane;5-(trifluoromethyl)furan-2-amine (CID 174679536) is methane;5-(trifluoromethyl)furan-2-amine.
What is the SMILES notation for methane;5-(trifluoromethyl)furan-2-amine?
The canonical SMILES for methane;5-(trifluoromethyl)furan-2-amine is C.Nc1ccc(C(F)(F)F)o1.
What is the InChIKey of methane;5-(trifluoromethyl)furan-2-amine?
The InChIKey is XMVQJVWRCOQTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO.CH4/c6-5(7,8)3-1-2-4(9)10-3;/h1-2H,9H2;1H4.
What are the key properties of methane;5-(trifluoromethyl)furan-2-amine?
methane;5-(trifluoromethyl)furan-2-amine has a molecular weight of 167.13 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(trifluoromethyl)furan-2-amine is sourced from PubChem (CID 174679536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).