6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol

C10H6F9NO — CID 146469701

IUPAC6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol
SMILESNc1ccc(C(F)(C(F)F)C(F)(F)F)c(C(F)(F)F)c1O
InChIInChI=1S/C10H6F9NO/c11-7(12)8(13,10(17,18)19)3-1-2-4(20)6(21)5(3)9(14,15)16/h1-2,7,21H,20H2
InChIKeyHTMVMRDOOVRWSK-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.99
Rot. Bonds2

About 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol

6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol (PubChem CID 146469701) has the molecular formula C10H6F9NO and a molecular weight of 327.15 g/mol. Its IUPAC name is 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol
PubChem CID146469701
Molecular FormulaC10H6F9NO
Molecular Weight327.15 g/mol
Exact Mass327.03
IUPAC Name6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol
SMILESNc1ccc(C(F)(C(F)F)C(F)(F)F)c(C(F)(F)F)c1O
InChIInChI=1S/C10H6F9NO/c11-7(12)8(13,10(17,18)19)3-1-2-4(20)6(21)5(3)9(14,15)16/h1-2,7,21H,20H2
InChIKeyHTMVMRDOOVRWSK-UHFFFAOYSA-N
XLogP3.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol 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-(1,1,1,2,3,3-hexafluoropropan-2-yl)aniline
CID 87432077
6-amino-3-chloro-2-(trifluoromethyl)phenol
CID 68682278
3,7-diamino-1,5-bis(trifluoromethyl)naphthalene-2,6-diol
CID 22613354
6-amino-2-[2-amino-3-hydroxy-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenol
CID 23496602
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
2-amino-6-(trifluoromethyl)phenol
CID 22272746
2-amino-3-[4-amino-3-hydroxy-5-(trifluoromethyl)phenyl]-4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)phenol
CID 23302169
3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
CID 58736589
4-amino-3-chloro-2-(trifluoromethyl)phenol
CID 119003890
4-amino-2-bromo-3-(trifluoromethyl)phenol
CID 130632614
2-[4,5-diamino-8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87435160
1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
CID 171027226

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol?
The IUPAC name of 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol (CID 146469701) is 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol?
The canonical SMILES for 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol is Nc1ccc(C(F)(C(F)F)C(F)(F)F)c(C(F)(F)F)c1O.
What is the InChIKey of 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol?
The InChIKey is HTMVMRDOOVRWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F9NO/c11-7(12)8(13,10(17,18)19)3-1-2-4(20)6(21)5(3)9(14,15)16/h1-2,7,21H,20H2.
What are the key properties of 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol?
6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol has a molecular weight of 327.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 146469701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).