2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol

C12H12FNO — CID 175328722

IUPAC2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol
SMILESNC1=CC=C(c2ccccc2)CC1(O)F
InChIInChI=1S/C12H12FNO/c13-12(15)8-10(6-7-11(12)14)9-4-2-1-3-5-9/h1-7,15H,8,14H2
InChIKeyWPCGSNTWLIWRNU-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.97
Rot. Bonds1

About 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol

2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 175328722) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol
PubChem CID175328722
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol
SMILESNC1=CC=C(c2ccccc2)CC1(O)F
InChIInChI=1S/C12H12FNO/c13-12(15)8-10(6-7-11(12)14)9-4-2-1-3-5-9/h1-7,15H,8,14H2
InChIKeyWPCGSNTWLIWRNU-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol (CID 175328722) is 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol is NC1=CC=C(c2ccccc2)CC1(O)F.
What is the InChIKey of 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is WPCGSNTWLIWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-12(15)8-10(6-7-11(12)14)9-4-2-1-3-5-9/h1-7,15H,8,14H2.
What are the key properties of 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol?
2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 205.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175328722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).