2-fluoro-1-methylcyclooctan-1-amine

C9H18FN — CID 166879291

IUPAC2-fluoro-1-methylcyclooctan-1-amine
SMILESCC1(N)CCCCCCC1F
InChIInChI=1S/C9H18FN/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7,11H2,1H3
InChIKeyASHKZIUZZAXWRW-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.40
Rot. Bonds

About 2-fluoro-1-methylcyclooctan-1-amine

2-fluoro-1-methylcyclooctan-1-amine (PubChem CID 166879291) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-fluoro-1-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-fluoro-1-methylcyclooctan-1-amine
PubChem CID166879291
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-fluoro-1-methylcyclooctan-1-amine
SMILESCC1(N)CCCCCCC1F
InChIInChI=1S/C9H18FN/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7,11H2,1H3
InChIKeyASHKZIUZZAXWRW-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylcyclooctan-1-amine?
The IUPAC name of 2-fluoro-1-methylcyclooctan-1-amine (CID 166879291) is 2-fluoro-1-methylcyclooctan-1-amine.
What is the SMILES notation for 2-fluoro-1-methylcyclooctan-1-amine?
The canonical SMILES for 2-fluoro-1-methylcyclooctan-1-amine is CC1(N)CCCCCCC1F.
What is the InChIKey of 2-fluoro-1-methylcyclooctan-1-amine?
The InChIKey is ASHKZIUZZAXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7,11H2,1H3.
What are the key properties of 2-fluoro-1-methylcyclooctan-1-amine?
2-fluoro-1-methylcyclooctan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methylcyclooctan-1-amine is sourced from PubChem (CID 166879291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).