2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C9H14FN3O — CID 147477748

IUPAC2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCC(N)C(F)C2)n1
InChIInChI=1S/C9H14FN3O/c1-5-12-9(14-13-5)6-2-3-8(11)7(10)4-6/h6-8H,2-4,11H2,1H3
InChIKeyFDAAYAAGSVLKQZ-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.31
Rot. Bonds1

About 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 147477748) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID147477748
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCC(N)C(F)C2)n1
InChIInChI=1S/C9H14FN3O/c1-5-12-9(14-13-5)6-2-3-8(11)7(10)4-6/h6-8H,2-4,11H2,1H3
InChIKeyFDAAYAAGSVLKQZ-UHFFFAOYSA-N
XLogP1.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 147477748) is 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is Cc1noc(C2CCC(N)C(F)C2)n1.
What is the InChIKey of 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is FDAAYAAGSVLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-5-12-9(14-13-5)6-2-3-8(11)7(10)4-6/h6-8H,2-4,11H2,1H3.
What are the key properties of 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 199.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 147477748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).