[4-(methylamino)-2-(trifluoromethyl)phenyl]methanol

C9H10F3NO — CID 133057585

IUPAC[4-(methylamino)-2-(trifluoromethyl)phenyl]methanol
SMILESCNc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13-7-3-2-6(5-14)8(4-7)9(10,11)12/h2-4,13-14H,5H2,1H3
InChIKeyWJYHEMCOKCGSPB-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.24
Rot. Bonds2

About [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol

[4-(methylamino)-2-(trifluoromethyl)phenyl]methanol (PubChem CID 133057585) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(methylamino)-2-(trifluoromethyl)phenyl]methanol
PubChem CID133057585
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name[4-(methylamino)-2-(trifluoromethyl)phenyl]methanol
SMILESCNc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13-7-3-2-6(5-14)8(4-7)9(10,11)12/h2-4,13-14H,5H2,1H3
InChIKeyWJYHEMCOKCGSPB-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol (CID 133057585) is [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol is CNc1ccc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is WJYHEMCOKCGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-7-3-2-6(5-14)8(4-7)9(10,11)12/h2-4,13-14H,5H2,1H3.
What are the key properties of [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol?
[4-(methylamino)-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 205.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 133057585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).