[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol

C9H9F4NO — CID 142503568

IUPAC[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESNCc1cc(CO)c(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-8-2-7(9(11,12)13)5(3-14)1-6(8)4-15/h1-2,15H,3-4,14H2
InChIKeyHZIXRKZCIIXBNM-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.80
Rot. Bonds2

About [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol

[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 142503568) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID142503568
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESNCc1cc(CO)c(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-8-2-7(9(11,12)13)5(3-14)1-6(8)4-15/h1-2,15H,3-4,14H2
InChIKeyHZIXRKZCIIXBNM-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
[4-fluoro-5-nitro-2-(trifluoromethyl)phenyl]methanamine
CID 171015761
(2R)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515548
(2S)-2-amino-2-[4,5-difluoro-2-(trifluoromethyl)phenyl]ethanol
CID 66515547
5-fluoro-4-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile
CID 131583247
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 131009331
[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338
[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 131189371
[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282987

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 142503568) is [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol is NCc1cc(CO)c(F)cc1C(F)(F)F.
What is the InChIKey of [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is HZIXRKZCIIXBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-8-2-7(9(11,12)13)5(3-14)1-6(8)4-15/h1-2,15H,3-4,14H2.
What are the key properties of [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol?
[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 223.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 142503568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).