3-(2,3,4-trifluoroanilino)propan-1-ol

C9H10F3NO — CID 19609283

IUPAC3-(2,3,4-trifluoroanilino)propan-1-ol
SMILESOCCCNc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c10-6-2-3-7(9(12)8(6)11)13-4-1-5-14/h2-3,13-14H,1,4-5H2
InChIKeyJARBWRFXFAHEMK-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.90
Rot. Bonds4

About 3-(2,3,4-trifluoroanilino)propan-1-ol

3-(2,3,4-trifluoroanilino)propan-1-ol (PubChem CID 19609283) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-(2,3,4-trifluoroanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,4-trifluoroanilino)propan-1-ol
PubChem CID19609283
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-(2,3,4-trifluoroanilino)propan-1-ol
SMILESOCCCNc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c10-6-2-3-7(9(12)8(6)11)13-4-1-5-14/h2-3,13-14H,1,4-5H2
InChIKeyJARBWRFXFAHEMK-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-2-fluoro-4-methylanilino)propan-1-ol
CID 130671051
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594
2,3,4-trifluoro-N-(4-methoxybutyl)aniline
CID 115735659
3-(6-amino-2,3-difluoroanilino)propan-1-ol
CID 62532991
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
3-[(7,8-difluoro-2-methylquinolin-4-yl)amino]propan-1-ol
CID 133499965
methyl 6-(2,3,4-trifluoroanilino)hexanoate
CID 82538898
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
N'-hydroxy-2,2-dimethyl-4-(2,3,4-trifluoroanilino)butanimidamide
CID 77062052
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluoroanilino)propan-1-ol?
The IUPAC name of 3-(2,3,4-trifluoroanilino)propan-1-ol (CID 19609283) is 3-(2,3,4-trifluoroanilino)propan-1-ol.
What is the SMILES notation for 3-(2,3,4-trifluoroanilino)propan-1-ol?
The canonical SMILES for 3-(2,3,4-trifluoroanilino)propan-1-ol is OCCCNc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(2,3,4-trifluoroanilino)propan-1-ol?
The InChIKey is JARBWRFXFAHEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-6-2-3-7(9(12)8(6)11)13-4-1-5-14/h2-3,13-14H,1,4-5H2.
What are the key properties of 3-(2,3,4-trifluoroanilino)propan-1-ol?
3-(2,3,4-trifluoroanilino)propan-1-ol has a molecular weight of 205.18 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluoroanilino)propan-1-ol is sourced from PubChem (CID 19609283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).