(5-fluorocyclohexa-1,3-dien-1-yl)methanamine

C7H10FN — CID 89270182

IUPAC(5-fluorocyclohexa-1,3-dien-1-yl)methanamine
SMILESNCC1=CC=CC(F)C1
InChIInChI=1S/C7H10FN/c8-7-3-1-2-6(4-7)5-9/h1-3,7H,4-5,9H2
InChIKeyVKCPTHJJTKBQNM-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.17
Rot. Bonds1

About (5-fluorocyclohexa-1,3-dien-1-yl)methanamine

(5-fluorocyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 89270182) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (5-fluorocyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluorocyclohexa-1,3-dien-1-yl)methanamine
PubChem CID89270182
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(5-fluorocyclohexa-1,3-dien-1-yl)methanamine
SMILESNCC1=CC=CC(F)C1
InChIInChI=1S/C7H10FN/c8-7-3-1-2-6(4-7)5-9/h1-3,7H,4-5,9H2
InChIKeyVKCPTHJJTKBQNM-UHFFFAOYSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluorocyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (5-fluorocyclohexa-1,3-dien-1-yl)methanamine (CID 89270182) is (5-fluorocyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (5-fluorocyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (5-fluorocyclohexa-1,3-dien-1-yl)methanamine is NCC1=CC=CC(F)C1.
What is the InChIKey of (5-fluorocyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is VKCPTHJJTKBQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c8-7-3-1-2-6(4-7)5-9/h1-3,7H,4-5,9H2.
What are the key properties of (5-fluorocyclohexa-1,3-dien-1-yl)methanamine?
(5-fluorocyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 127.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorocyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 89270182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).