1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol

C9H10F3NO — CID 22612147

IUPAC1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol
SMILESNCc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-4,8,14H,5,13H2
InChIKeyJIWYPPJMXMFBDS-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.74
Rot. Bonds2

About 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol

1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol (PubChem CID 22612147) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol
PubChem CID22612147
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol
SMILESNCc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-4,8,14H,5,13H2
InChIKeyJIWYPPJMXMFBDS-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol (CID 22612147) is 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol is NCc1ccc(C(O)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol?
The InChIKey is JIWYPPJMXMFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-4,8,14H,5,13H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol?
1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol has a molecular weight of 205.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 22612147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).