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

C7H10FNO — CID 138579640

IUPACamino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol
SMILESNC(O)C1C=CC(F)=CC1
InChIInChI=1S/C7H10FNO/c8-6-3-1-5(2-4-6)7(9)10/h1,3-5,7,10H,2,9H2
InChIKeyYJTLRCRLJXUHKF-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.69
Rot. Bonds1

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

amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol (PubChem CID 138579640) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Nameamino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol
PubChem CID138579640
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Nameamino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol
SMILESNC(O)C1C=CC(F)=CC1
InChIInChI=1S/C7H10FNO/c8-6-3-1-5(2-4-6)7(9)10/h1,3-5,7,10H,2,9H2
InChIKeyYJTLRCRLJXUHKF-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
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-(4-fluorocyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol (CID 138579640) is amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol is NC(O)C1C=CC(F)=CC1.
What is the InChIKey of amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is YJTLRCRLJXUHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c8-6-3-1-5(2-4-6)7(9)10/h1,3-5,7,10H,2,9H2.
What are the key properties of amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol?
amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 143.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 138579640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).