[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol

C12H12BrF4NO2 — CID 142379078

IUPAC[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
SMILESNC1(c2cc(Br)ccc2F)COC(C(F)(F)F)C1CO
InChIInChI=1S/C12H12BrF4NO2/c13-6-1-2-9(14)7(3-6)11(18)5-20-10(8(11)4-19)12(15,16)17/h1-3,8,10,19H,4-5,18H2
InChIKeyPKTPYVOFNCNGQO-UHFFFAOYSA-N
MW358.13 g/mol
LogP2.31
Rot. Bonds2

About [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol

[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol (PubChem CID 142379078) has the molecular formula C12H12BrF4NO2 and a molecular weight of 358.13 g/mol. Its IUPAC name is [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
PubChem CID142379078
Molecular FormulaC12H12BrF4NO2
Molecular Weight358.13 g/mol
Exact Mass357.00
IUPAC Name[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
SMILESNC1(c2cc(Br)ccc2F)COC(C(F)(F)F)C1CO
InChIInChI=1S/C12H12BrF4NO2/c13-6-1-2-9(14)7(3-6)11(18)5-20-10(8(11)4-19)12(15,16)17/h1-3,8,10,19H,4-5,18H2
InChIKeyPKTPYVOFNCNGQO-UHFFFAOYSA-N
XLogP2.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.13
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
CID 67477643
[(2R,4R,5S)-5-amino-5-(5-bromo-2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-yl]methanol
CID 59281210
[(2S,3R,4S)-4-amino-4-(5-bromo-2-fluorophenyl)-2-[[(3Z,5Z)-1-cyclohexa-1,3-dien-1-yl-1-phenylhepta-3,5-dienoxy]methyl]oxolan-3-yl]methanol
CID 139364832
[(2R,3S,4R)-4-amino-4-(2,3-difluorophenyl)-2-(hydroxymethyl)oxolan-3-yl]methanol
CID 126659760
N-[(3S,4R,6S)-3-(5-bromo-2-fluorophenyl)-4-(hydroxymethyl)-6-methyloxan-3-yl]-2,2,2-trifluoroacetamide
CID 121372447
(4aR,6R,8aS)-8a-(5-bromo-2-fluorophenyl)-6-(hydroxymethyl)-1,4,4a,5,6,8-hexahydropyrano[3,4-d][1,3]oxazin-2-one
CID 121372361
1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 142766516
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
CID 116876552
N-[(3S,4R,5S)-3-(5-bromo-2-fluorophenyl)-4-(hydroxymethyl)-5-(trityloxymethyl)oxolan-3-yl]acetamide
CID 134460222
[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82973726
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione
CID 159833321

Frequently Asked Questions

What is the IUPAC name of [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
The IUPAC name of [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol (CID 142379078) is [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
The canonical SMILES for [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol is NC1(c2cc(Br)ccc2F)COC(C(F)(F)F)C1CO.
What is the InChIKey of [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
The InChIKey is PKTPYVOFNCNGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF4NO2/c13-6-1-2-9(14)7(3-6)11(18)5-20-10(8(11)4-19)12(15,16)17/h1-3,8,10,19H,4-5,18H2.
What are the key properties of [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol has a molecular weight of 358.13 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 142379078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).