[4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride

C6H7ClF3NO — CID 138037955

IUPAC[4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)co1
InChIInChI=1S/C6H6F3NO.ClH/c7-6(8,9)4-1-5(2-10)11-3-4;/h1,3H,2,10H2;1H
InChIKeyKEQNYZZZXKYBLU-UHFFFAOYSA-N
MW201.58 g/mol
LogP2.18
Rot. Bonds1

About [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride

[4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride (PubChem CID 138037955) has the molecular formula C6H7ClF3NO and a molecular weight of 201.58 g/mol. Its IUPAC name is [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride
PubChem CID138037955
Molecular FormulaC6H7ClF3NO
Molecular Weight201.58 g/mol
Exact Mass201.02
IUPAC Name[4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)co1
InChIInChI=1S/C6H6F3NO.ClH/c7-6(8,9)4-1-5(2-10)11-3-4;/h1,3H,2,10H2;1H
InChIKeyKEQNYZZZXKYBLU-UHFFFAOYSA-N
XLogP2.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride (CID 138037955) is [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride is Cl.NCc1cc(C(F)(F)F)co1.
What is the InChIKey of [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride?
The InChIKey is KEQNYZZZXKYBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO.ClH/c7-6(8,9)4-1-5(2-10)11-3-4;/h1,3H,2,10H2;1H.
What are the key properties of [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride?
[4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 138037955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).