2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H12F6N2O — CID 87435064

IUPAC2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc2cc3cc(C(O)(C(F)(F)F)C(F)(F)F)c(N)cc3cc2c1
InChIInChI=1S/C17H12F6N2O/c18-16(19,20)15(26,17(21,22)23)13-6-10-3-8-1-2-12(24)5-9(8)4-11(10)7-14(13)25/h1-7,26H,24-25H2
InChIKeyHFMXUGRJQHFGGB-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.47
Rot. Bonds1

About 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 87435064) has the molecular formula C17H12F6N2O and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID87435064
Molecular FormulaC17H12F6N2O
Molecular Weight374.28 g/mol
Exact Mass374.09
IUPAC Name2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc2cc3cc(C(O)(C(F)(F)F)C(F)(F)F)c(N)cc3cc2c1
InChIInChI=1S/C17H12F6N2O/c18-16(19,20)15(26,17(21,22)23)13-6-10-3-8-1-2-12(24)5-9(8)4-11(10)7-14(13)25/h1-7,26H,24-25H2
InChIKeyHFMXUGRJQHFGGB-UHFFFAOYSA-N
XLogP4.47
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,7-diaminophenanthren-3-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87434844
2-(3,8-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87435007
2-[3,6-diamino-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenanthren-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87435130
2-[2,8-diamino-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)tetracen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87435273
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
2-[2,3-diamino-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59552294
2-[2-amino-5-[[4-amino-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-iodophenyl]methyl]-4-iodophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90195786
2-(2-amino-4-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 76847626
3,6-diaminonaphthalene-2-sulfonic acid
CID 87527347
tetracene-2,3-diamine
CID 101108854
6,7-dichloronaphthalen-2-amine
CID 70123851
2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90246896

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 87435064) is 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc2cc3cc(C(O)(C(F)(F)F)C(F)(F)F)c(N)cc3cc2c1.
What is the InChIKey of 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is HFMXUGRJQHFGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O/c18-16(19,20)15(26,17(21,22)23)13-6-10-3-8-1-2-12(24)5-9(8)4-11(10)7-14(13)25/h1-7,26H,24-25H2.
What are the key properties of 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 374.28 g/mol, XLogP of 4.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-diaminoanthracen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 87435064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).