3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol

C14H19F4NO2 — CID 107688661

IUPAC3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)NCc1ccc(OCC(O)C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4NO2/c1-13(2,3)19-7-9-4-5-11(10(15)6-9)21-8-12(20)14(16,17)18/h4-6,12,19-20H,7-8H2,1-3H3
InChIKeyUSFUZWOWQKNIHC-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.02
Rot. Bonds5

About 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol

3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 107688661) has the molecular formula C14H19F4NO2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID107688661
Molecular FormulaC14H19F4NO2
Molecular Weight309.30 g/mol
Exact Mass309.14
IUPAC Name3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)NCc1ccc(OCC(O)C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4NO2/c1-13(2,3)19-7-9-4-5-11(10(15)6-9)21-8-12(20)14(16,17)18/h4-6,12,19-20H,7-8H2,1-3H3
InChIKeyUSFUZWOWQKNIHC-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686792
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902473
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
1,1,1-trifluoro-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propan-2-ol
CID 107687401
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol
CID 156853269
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol (CID 107688661) is 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol is CC(C)(C)NCc1ccc(OCC(O)C(F)(F)F)c(F)c1.
What is the InChIKey of 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is USFUZWOWQKNIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO2/c1-13(2,3)19-7-9-4-5-11(10(15)6-9)21-8-12(20)14(16,17)18/h4-6,12,19-20H,7-8H2,1-3H3.
What are the key properties of 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 309.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 107688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).