N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine

C10H20FN — CID 80695995

IUPACN-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCF
InChIInChI=1S/C10H20FN/c1-10(2)6-4-3-5-9(10)12-8-7-11/h9,12H,3-8H2,1-2H3
InChIKeyPLAYMUXSRXZOPR-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.51
Rot. Bonds3

About N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine

N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 80695995) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID80695995
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC NameN-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCF
InChIInChI=1S/C10H20FN/c1-10(2)6-4-3-5-9(10)12-8-7-11/h9,12H,3-8H2,1-2H3
InChIKeyPLAYMUXSRXZOPR-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine (CID 80695995) is N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is PLAYMUXSRXZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2)6-4-3-5-9(10)12-8-7-11/h9,12H,3-8H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine?
N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 80695995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).