(4-fluorocyclohexen-1-yl)methanamine

C7H12FN — CID 89126657

IUPAC(4-fluorocyclohexen-1-yl)methanamine
SMILESNCC1=CCC(F)CC1
InChIInChI=1S/C7H12FN/c8-7-3-1-6(5-9)2-4-7/h1,7H,2-5,9H2
InChIKeyMHPZTGBWSZQQBQ-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.39
Rot. Bonds1

About (4-fluorocyclohexen-1-yl)methanamine

(4-fluorocyclohexen-1-yl)methanamine (PubChem CID 89126657) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (4-fluorocyclohexen-1-yl)methanamine.

Molecular Properties

Compound Name(4-fluorocyclohexen-1-yl)methanamine
PubChem CID89126657
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(4-fluorocyclohexen-1-yl)methanamine
SMILESNCC1=CCC(F)CC1
InChIInChI=1S/C7H12FN/c8-7-3-1-6(5-9)2-4-7/h1,7H,2-5,9H2
InChIKeyMHPZTGBWSZQQBQ-UHFFFAOYSA-N
XLogP1.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexen-1-yl)methanamine?
The IUPAC name of (4-fluorocyclohexen-1-yl)methanamine (CID 89126657) is (4-fluorocyclohexen-1-yl)methanamine.
What is the SMILES notation for (4-fluorocyclohexen-1-yl)methanamine?
The canonical SMILES for (4-fluorocyclohexen-1-yl)methanamine is NCC1=CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexen-1-yl)methanamine?
The InChIKey is MHPZTGBWSZQQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-7-3-1-6(5-9)2-4-7/h1,7H,2-5,9H2.
What are the key properties of (4-fluorocyclohexen-1-yl)methanamine?
(4-fluorocyclohexen-1-yl)methanamine has a molecular weight of 129.18 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexen-1-yl)methanamine is sourced from PubChem (CID 89126657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).