2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol

C12H15F4NO — CID 107643682

IUPAC2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H15F4NO/c1-3-12(2,6-18)5-17-11-9(15)7(13)4-8(14)10(11)16/h4,17-18H,3,5-6H2,1-2H3
InChIKeyOGFQFFIAZJYZNE-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.06
Rot. Bonds5

About 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol

2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol (PubChem CID 107643682) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol
PubChem CID107643682
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H15F4NO/c1-3-12(2,6-18)5-17-11-9(15)7(13)4-8(14)10(11)16/h4,17-18H,3,5-6H2,1-2H3
InChIKeyOGFQFFIAZJYZNE-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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

2-[(2,6-difluoro-3-methylanilino)methyl]-2-methylbutan-1-ol
CID 82816577
2-[(2,4-difluoro-5-nitroanilino)methyl]-2-methylbutan-1-ol
CID 81413065
2-fluoro-5-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzonitrile
CID 81419834
2-[[(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]methyl]-2-methylbutan-1-ol
CID 81413535
2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81412194
2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81419012
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol
CID 81412490
1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol
CID 65103314
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 81412914
2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
CID 107643968
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
CID 105410774
5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol
CID 107644364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol (CID 107643682) is 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol is CCC(C)(CO)CNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol?
The InChIKey is OGFQFFIAZJYZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-3-12(2,6-18)5-17-11-9(15)7(13)4-8(14)10(11)16/h4,17-18H,3,5-6H2,1-2H3.
What are the key properties of 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol?
2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol has a molecular weight of 265.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol is sourced from PubChem (CID 107643682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).