2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol

C7H10FNO — CID 167045485

IUPAC2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol
SMILESNCC1=C(O)C=CC(F)C1
InChIInChI=1S/C7H10FNO/c8-6-1-2-7(10)5(3-6)4-9/h1-2,6,10H,3-4,9H2
InChIKeyCVVRIIDIMROURM-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.06
Rot. Bonds1

About 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol

2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol (PubChem CID 167045485) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol
PubChem CID167045485
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol
SMILESNCC1=C(O)C=CC(F)C1
InChIInChI=1S/C7H10FNO/c8-6-1-2-7(10)5(3-6)4-9/h1-2,6,10H,3-4,9H2
InChIKeyCVVRIIDIMROURM-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol (CID 167045485) is 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol is NCC1=C(O)C=CC(F)C1.
What is the InChIKey of 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol?
The InChIKey is CVVRIIDIMROURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c8-6-1-2-7(10)5(3-6)4-9/h1-2,6,10H,3-4,9H2.
What are the key properties of 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol?
2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol has a molecular weight of 143.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 167045485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).