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

C12H15F4NO — CID 113254397

IUPAC4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol
SMILESCC(CCCO)Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4NO/c1-8(3-2-6-18)17-11-5-4-9(7-10(11)13)12(14,15)16/h4-5,7-8,17-18H,2-3,6H2,1H3
InChIKeyNXXSEXYCZZRGQT-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.42
Rot. Bonds5

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

4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol (PubChem CID 113254397) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol.

Molecular Properties

Compound Name4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol
PubChem CID113254397
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol
SMILESCC(CCCO)Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4NO/c1-8(3-2-6-18)17-11-5-4-9(7-10(11)13)12(14,15)16/h4-5,7-8,17-18H,2-3,6H2,1H3
InChIKeyNXXSEXYCZZRGQT-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoroanilino)pentan-1-ol
CID 115975993
4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 107303520
methyl 2-[2-fluoro-4-(trifluoromethyl)anilino]-3-hydroxypropanoate
CID 107303971
2-fluoro-N-pent-1-yn-3-yl-4-(trifluoromethyl)aniline
CID 106231279
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
3-[2-[2-fluoro-4-(trifluoromethyl)anilino]ethylsulfanyl]propan-1-ol
CID 103702971
2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol?
The IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol (CID 113254397) is 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol.
What is the SMILES notation for 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol?
The canonical SMILES for 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol is CC(CCCO)Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol?
The InChIKey is NXXSEXYCZZRGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-8(3-2-6-18)17-11-5-4-9(7-10(11)13)12(14,15)16/h4-5,7-8,17-18H,2-3,6H2,1H3.
What are the key properties of 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol?
4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol has a molecular weight of 265.25 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol is sourced from PubChem (CID 113254397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).