bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane

C15H16F6N2O2 — CID 158377078

IUPACbis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)CC(F)(F)F.Nc1cccc(O)c1.Nc1cccc(O)c1
InChIInChI=1S/2C6H7NO.C3H2F6/c2*7-5-2-1-3-6(8)4-5;4-2(5,6)1-3(7,8)9/h2*1-4,8H,7H2;1H2
InChIKeyGVIGWGPTIFTWSS-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.45
Rot. Bonds

About bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane

bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane (PubChem CID 158377078) has the molecular formula C15H16F6N2O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Namebis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane
PubChem CID158377078
Molecular FormulaC15H16F6N2O2
Molecular Weight370.29 g/mol
Exact Mass370.11
IUPAC Namebis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)CC(F)(F)F.Nc1cccc(O)c1.Nc1cccc(O)c1
InChIInChI=1S/2C6H7NO.C3H2F6/c2*7-5-2-1-3-6(8)4-5;4-2(5,6)1-3(7,8)9/h2*1-4,8H,7H2;1H2
InChIKeyGVIGWGPTIFTWSS-UHFFFAOYSA-N
XLogP4.45
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-aminophenol;molecular nitrogen
CID 174840874
3-aminophenol;benzene-1,3-diol;ethane
CID 142022536
3-aminophenol;4-aminophenol;benzene-1,3-diamine;benzene-1,4-diamine
CID 174818324
3-(2,2,2-trifluoroethyl)aniline
CID 54595012
3-aminophenol;3-tert-butylphenol;formaldehyde
CID 67925508
3-aminophenol;2-methylpropanoic acid
CID 70507875
3-aminophenol;benzenesulfonylbenzene
CID 68932329
3-[(3-aminophenyl)diazenyl]phenol
CID 134818875
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
benzene-1,3-diamine
CID 7935
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
(3-aminophenyl)methanol;phenol
CID 174804454

Frequently Asked Questions

What is the IUPAC name of bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane (CID 158377078) is bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane is FC(F)(F)CC(F)(F)F.Nc1cccc(O)c1.Nc1cccc(O)c1.
What is the InChIKey of bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane?
The InChIKey is GVIGWGPTIFTWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7NO.C3H2F6/c2*7-5-2-1-3-6(8)4-5;4-2(5,6)1-3(7,8)9/h2*1-4,8H,7H2;1H2.
What are the key properties of bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane?
bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane has a molecular weight of 370.29 g/mol, XLogP of 4.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 158377078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).