(3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine

C10H20FN — CID 177182717

IUPAC(3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCF)C[C@H]1C
InChIInChI=1S/C10H20FN/c1-8-3-4-10(7-9(8)2)12-6-5-11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeyGBKRIBRIWSVPIA-HWOCKDDLSA-N
MW173.27 g/mol
LogP2.37
Rot. Bonds3

About (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine

(3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 177182717) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID177182717
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCF)C[C@H]1C
InChIInChI=1S/C10H20FN/c1-8-3-4-10(7-9(8)2)12-6-5-11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeyGBKRIBRIWSVPIA-HWOCKDDLSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine (CID 177182717) is (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCCF)C[C@H]1C.
What is the InChIKey of (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is GBKRIBRIWSVPIA-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H20FN/c1-8-3-4-10(7-9(8)2)12-6-5-11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?/m1/s1.
What are the key properties of (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine?
(3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-fluoroethyl)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 177182717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).