amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol

C7H10FNO — CID 175745398

IUPACamino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol
SMILESNC(O)C1(F)C=CC=CC1
InChIInChI=1S/C7H10FNO/c8-7(6(9)10)4-2-1-3-5-7/h1-4,6,10H,5,9H2
InChIKeyRSQCMZWRLLWJPL-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.49
Rot. Bonds1

About amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol

amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol (PubChem CID 175745398) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Nameamino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol
PubChem CID175745398
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Nameamino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol
SMILESNC(O)C1(F)C=CC=CC1
InChIInChI=1S/C7H10FNO/c8-7(6(9)10)4-2-1-3-5-7/h1-4,6,10H,5,9H2
InChIKeyRSQCMZWRLLWJPL-UHFFFAOYSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol (CID 175745398) is amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol is NC(O)C1(F)C=CC=CC1.
What is the InChIKey of amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is RSQCMZWRLLWJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c8-7(6(9)10)4-2-1-3-5-7/h1-4,6,10H,5,9H2.
What are the key properties of amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol?
amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 143.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1-fluorocyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 175745398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).