2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol

C12H11F2NO — CID 151280476

IUPAC2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol
SMILESNC1=C(F)C=C(c2ccccc2)CC1(O)F
InChIInChI=1S/C12H11F2NO/c13-10-6-9(7-12(14,16)11(10)15)8-4-2-1-3-5-8/h1-6,16H,7,15H2
InChIKeyNYGOJILAJMOQOC-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.27
Rot. Bonds1

About 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol

2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 151280476) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol
PubChem CID151280476
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol
SMILESNC1=C(F)C=C(c2ccccc2)CC1(O)F
InChIInChI=1S/C12H11F2NO/c13-10-6-9(7-12(14,16)11(10)15)8-4-2-1-3-5-8/h1-6,16H,7,15H2
InChIKeyNYGOJILAJMOQOC-UHFFFAOYSA-N
XLogP2.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(p-Amino)-phenylhydroquinone
CID 70615537
2-Amino-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 17842150
2-Amino-1-fluoro-5-(2-fluorophenyl)cyclohexa-2,4-dien-1-ol
CID 21917557
1-Fluoro-5-phenylcyclohexa-2,4-dien-1-ol
CID 69324164
2-Amino-1,2-difluoro-1-phenylethanol
CID 89781652
2-Amino-4-(4-fluorophenyl)butan-2-ol
CID 130390886
2-Amino-4-(3-fluorophenyl)butan-2-ol
CID 130390891
2-Amino-4-(2-fluorophenyl)butan-2-ol
CID 130390952
1-Amino-2-fluoro-3-phenylpropan-2-ol
CID 139388619
2-Amino-1-fluoro-1-phenylpropan-2-ol
CID 139388621
2-Amino-1,1,1-trifluoro-4-phenylbutan-2-ol
CID 140971103
3-Amino-4,4,5,5,6,6,6-heptafluoro-1-phenylhexan-3-ol
CID 141033075

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol (CID 151280476) is 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol is NC1=C(F)C=C(c2ccccc2)CC1(O)F.
What is the InChIKey of 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is NYGOJILAJMOQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-10-6-9(7-12(14,16)11(10)15)8-4-2-1-3-5-8/h1-6,16H,7,15H2.
What are the key properties of 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol?
2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 223.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151280476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).