2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol

C9H10F3NO — CID 117293116

IUPAC2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(F)c(O)cc(F)c1F
InChIInChI=1S/C9H10F3NO/c1-13-3-2-5-8(11)6(10)4-7(14)9(5)12/h4,13-14H,2-3H2,1H3
InChIKeyJVJNRQSEMWTYTH-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.57
Rot. Bonds3

About 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol

2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol (PubChem CID 117293116) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
PubChem CID117293116
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(F)c(O)cc(F)c1F
InChIInChI=1S/C9H10F3NO/c1-13-3-2-5-8(11)6(10)4-7(14)9(5)12/h4,13-14H,2-3H2,1H3
InChIKeyJVJNRQSEMWTYTH-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4,6-trifluoro-2-[2-(methylamino)ethyl]phenol
CID 117293117
4-bromo-5-fluoro-3-[2-(methylamino)ethyl]benzene-1,2-diol
CID 117414379
3-fluoro-4-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659080
3-(2-aminooxyethyl)-2,4,5-trifluorophenol
CID 117295383
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
CID 117292301
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol
CID 117305133
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
2-(2,3,5,6-tetrafluorophenyl)ethanol
CID 55267363

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol (CID 117293116) is 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol is CNCCc1c(F)c(O)cc(F)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol?
The InChIKey is JVJNRQSEMWTYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-3-2-5-8(11)6(10)4-7(14)9(5)12/h4,13-14H,2-3H2,1H3.
What are the key properties of 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol?
2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol has a molecular weight of 205.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 117293116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).