4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol

C11H13F4NO — CID 63036135

IUPAC4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
SMILESOCCCCNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H13F4NO/c12-9-4-3-8(11(13,14)15)7-10(9)16-5-1-2-6-17/h3-4,7,16-17H,1-2,5-6H2
InChIKeyXJHNXJSSGXBAJD-UHFFFAOYSA-N
MW251.22 g/mol
LogP3.03
Rot. Bonds5

About 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol

4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol (PubChem CID 63036135) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
PubChem CID63036135
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
SMILESOCCCCNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H13F4NO/c12-9-4-3-8(11(13,14)15)7-10(9)16-5-1-2-6-17/h3-4,7,16-17H,1-2,5-6H2
InChIKeyXJHNXJSSGXBAJD-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
methyl 4-[2-fluoro-5-(trifluoromethyl)anilino]butanoate
CID 55145548
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
3-[2-[2-fluoro-4-(trifluoromethyl)anilino]ethylsulfanyl]propan-1-ol
CID 103702971
4-(5-tert-butyl-2-methylanilino)butan-1-ol
CID 115217347
N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036495
N-(4-chlorobutyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304185
N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
CID 106238921

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol (CID 63036135) is 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol is OCCCCNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol?
The InChIKey is XJHNXJSSGXBAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c12-9-4-3-8(11(13,14)15)7-10(9)16-5-1-2-6-17/h3-4,7,16-17H,1-2,5-6H2.
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol?
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol has a molecular weight of 251.22 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol is sourced from PubChem (CID 63036135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).