1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol

C10H9F6NO — CID 805015

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol
SMILESCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F6NO/c1-17-7-4-2-6(3-5-7)8(18,9(11,12)13)10(14,15)16/h2-5,17-18H,1H3
InChIKeyCOUCSXYYYRCQOG-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.04
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol (PubChem CID 805015) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol
PubChem CID805015
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol
SMILESCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F6NO/c1-17-7-4-2-6(3-5-7)8(18,9(11,12)13)10(14,15)16/h2-5,17-18H,1H3
InChIKeyCOUCSXYYYRCQOG-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol 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

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
Urea, [4-(1-hydroxy-1-methylethyl)phenyl]-
CID 9543260
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)acetamide
CID 2323445
Urea, N-[4-(1-hydroxy-1-methylethyl)phenyl]-N'-methyl-
CID 9543259
3-[4-(2-Hydroxypropan-2-yl)phenyl]-1,1-dimethylurea
CID 85718060
Isobutyl 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl(methyl)carbamate
CID 645748
N-ethyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]isobutyramide
CID 9924885
N-butyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]isobutyramide
CID 10110611
N-propyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]isobutyramide
CID 10270539
2-(4-(Benzyl(ethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11574384
2-(4-(Benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11582802

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol (CID 805015) is 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol is CNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol?
The InChIKey is COUCSXYYYRCQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-17-7-4-2-6(3-5-7)8(18,9(11,12)13)10(14,15)16/h2-5,17-18H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol has a molecular weight of 273.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol is sourced from PubChem (CID 805015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).