2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H9F6NO — CID 118395946

IUPAC2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F6NO/c11-9(12,13)8(18,10(14,15)16)7-3-1-6(5-17)2-4-7/h1-4,18H,5,17H2
InChIKeyDOPDHWYBFVZYRG-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.46
Rot. Bonds2

About 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118395946) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118395946
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F6NO/c11-9(12,13)8(18,10(14,15)16)7-3-1-6(5-17)2-4-7/h1-4,18H,5,17H2
InChIKeyDOPDHWYBFVZYRG-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-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

1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
1,1,1,3,3-pentafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 156598959
CID 87058750
CID 87058750
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methylcarbamic acid
CID 170166266
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583978
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol
CID 118531960
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14384432
(4-tert-butylphenyl)methanamine;oxalic acid
CID 146079454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118395946) is 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is NCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is DOPDHWYBFVZYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c11-9(12,13)8(18,10(14,15)16)7-3-1-6(5-17)2-4-7/h1-4,18H,5,17H2.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 273.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118395946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).