2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine

C10H20FN — CID 112562592

IUPAC2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
SMILESCC1CCC(C(F)CN)CC1C
InChIInChI=1S/C10H20FN/c1-7-3-4-9(5-8(7)2)10(11)6-12/h7-10H,3-6,12H2,1-2H3
InChIKeyCRZKZJUFEJQUDC-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.36
Rot. Bonds2

About 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine

2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine (PubChem CID 112562592) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
PubChem CID112562592
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
SMILESCC1CCC(C(F)CN)CC1C
InChIInChI=1S/C10H20FN/c1-7-3-4-9(5-8(7)2)10(11)6-12/h7-10H,3-6,12H2,1-2H3
InChIKeyCRZKZJUFEJQUDC-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine (CID 112562592) is 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine is CC1CCC(C(F)CN)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
The InChIKey is CRZKZJUFEJQUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-7-3-4-9(5-8(7)2)10(11)6-12/h7-10H,3-6,12H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine?
2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine has a molecular weight of 173.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine is sourced from PubChem (CID 112562592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).