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

C9H10F3NO — CID 151840381

IUPAC1-(2,3,4-trifluoroanilino)propan-1-ol
SMILESCCC(O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c1-2-7(14)13-6-4-3-5(10)8(11)9(6)12/h3-4,7,13-14H,2H2,1H3
InChIKeySGNNSKVGRXCJOY-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.24
Rot. Bonds3

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

1-(2,3,4-trifluoroanilino)propan-1-ol (PubChem CID 151840381) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(2,3,4-trifluoroanilino)propan-1-ol.

Molecular Properties

Compound Name1-(2,3,4-trifluoroanilino)propan-1-ol
PubChem CID151840381
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(2,3,4-trifluoroanilino)propan-1-ol
SMILESCCC(O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c1-2-7(14)13-6-4-3-5(10)8(11)9(6)12/h3-4,7,13-14H,2H2,1H3
InChIKeySGNNSKVGRXCJOY-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
CID 43759530
2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline
CID 43095586
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
1-pentan-3-yl-3-(2,3,4-trifluorophenyl)urea
CID 47132828
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509
2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
CID 66045918
ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline
CID 113489683
2,3,4-trifluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43105914
N,2,3,4-tetrafluoroaniline
CID 54516145
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluoroanilino)propan-1-ol?
The IUPAC name of 1-(2,3,4-trifluoroanilino)propan-1-ol (CID 151840381) is 1-(2,3,4-trifluoroanilino)propan-1-ol.
What is the SMILES notation for 1-(2,3,4-trifluoroanilino)propan-1-ol?
The canonical SMILES for 1-(2,3,4-trifluoroanilino)propan-1-ol is CCC(O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4-trifluoroanilino)propan-1-ol?
The InChIKey is SGNNSKVGRXCJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-7(14)13-6-4-3-5(10)8(11)9(6)12/h3-4,7,13-14H,2H2,1H3.
What are the key properties of 1-(2,3,4-trifluoroanilino)propan-1-ol?
1-(2,3,4-trifluoroanilino)propan-1-ol has a molecular weight of 205.18 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluoroanilino)propan-1-ol is sourced from PubChem (CID 151840381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).