3-methyl-5-(trifluoromethyl)furan-2-amine

C6H6F3NO — CID 172772303

IUPAC3-methyl-5-(trifluoromethyl)furan-2-amine
SMILESCc1cc(C(F)(F)F)oc1N
InChIInChI=1S/C6H6F3NO/c1-3-2-4(6(7,8)9)11-5(3)10/h2H,10H2,1H3
InChIKeyNCXNZJXZDCKDTP-UHFFFAOYSA-N
MW165.11 g/mol
LogP2.19
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)furan-2-amine

3-methyl-5-(trifluoromethyl)furan-2-amine (PubChem CID 172772303) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)furan-2-amine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)furan-2-amine
PubChem CID172772303
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name3-methyl-5-(trifluoromethyl)furan-2-amine
SMILESCc1cc(C(F)(F)F)oc1N
InChIInChI=1S/C6H6F3NO/c1-3-2-4(6(7,8)9)11-5(3)10/h2H,10H2,1H3
InChIKeyNCXNZJXZDCKDTP-UHFFFAOYSA-N
XLogP2.19
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)furan-2-amine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)furan-2-amine (CID 172772303) is 3-methyl-5-(trifluoromethyl)furan-2-amine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)furan-2-amine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)furan-2-amine is Cc1cc(C(F)(F)F)oc1N.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)furan-2-amine?
The InChIKey is NCXNZJXZDCKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-3-2-4(6(7,8)9)11-5(3)10/h2H,10H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)furan-2-amine?
3-methyl-5-(trifluoromethyl)furan-2-amine has a molecular weight of 165.11 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)furan-2-amine is sourced from PubChem (CID 172772303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).