(4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine

C8H14FN — CID 166996100

IUPAC(4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine
SMILESNCC1CC(F)C2CC1C2
InChIInChI=1S/C8H14FN/c9-8-3-7(4-10)5-1-6(8)2-5/h5-8H,1-4,10H2
InChIKeySCGGVTKMDNIFDG-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.33
Rot. Bonds1

About (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine

(4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine (PubChem CID 166996100) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine
PubChem CID166996100
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine
SMILESNCC1CC(F)C2CC1C2
InChIInChI=1S/C8H14FN/c9-8-3-7(4-10)5-1-6(8)2-5/h5-8H,1-4,10H2
InChIKeySCGGVTKMDNIFDG-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine?
The IUPAC name of (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine (CID 166996100) is (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine.
What is the SMILES notation for (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine?
The canonical SMILES for (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine is NCC1CC(F)C2CC1C2.
What is the InChIKey of (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine?
The InChIKey is SCGGVTKMDNIFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c9-8-3-7(4-10)5-1-6(8)2-5/h5-8H,1-4,10H2.
What are the key properties of (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine?
(4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine has a molecular weight of 143.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-bicyclo[3.1.1]heptanyl)methanamine is sourced from PubChem (CID 166996100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).