4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane

C8H14FNO — CID 177004601

IUPAC4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane
SMILESCC.NC1=CC(F)=C(O)CC1
InChIInChI=1S/C6H8FNO.C2H6/c7-5-3-4(8)1-2-6(5)9;1-2/h3,9H,1-2,8H2;1-2H3
InChIKeyWRELDVRKYSWVHJ-UHFFFAOYSA-N
MW159.20 g/mol
LogP2.39
Rot. Bonds

About 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane

4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane (PubChem CID 177004601) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane.

Molecular Properties

Compound Name4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane
PubChem CID177004601
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane
SMILESCC.NC1=CC(F)=C(O)CC1
InChIInChI=1S/C6H8FNO.C2H6/c7-5-3-4(8)1-2-6(5)9;1-2/h3,9H,1-2,8H2;1-2H3
InChIKeyWRELDVRKYSWVHJ-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane?
The IUPAC name of 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane (CID 177004601) is 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane.
What is the SMILES notation for 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane?
The canonical SMILES for 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane is CC.NC1=CC(F)=C(O)CC1.
What is the InChIKey of 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane?
The InChIKey is WRELDVRKYSWVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO.C2H6/c7-5-3-4(8)1-2-6(5)9;1-2/h3,9H,1-2,8H2;1-2H3.
What are the key properties of 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane?
4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane has a molecular weight of 159.20 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorocyclohexa-1,3-dien-1-ol;ethane is sourced from PubChem (CID 177004601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).