2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine

C9H18FNO — CID 102633057

IUPAC2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCCF
InChIInChI=1S/C9H18FNO/c1-11-8-4-2-3-5-9(8)12-7-6-10/h8-9,11H,2-7H2,1H3
InChIKeyCSSRCMBRUINCBM-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine

2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine (PubChem CID 102633057) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine
PubChem CID102633057
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCCF
InChIInChI=1S/C9H18FNO/c1-11-8-4-2-3-5-9(8)12-7-6-10/h8-9,11H,2-7H2,1H3
InChIKeyCSSRCMBRUINCBM-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine (CID 102633057) is 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine is CNC1CCCCC1OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine?
The InChIKey is CSSRCMBRUINCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-11-8-4-2-3-5-9(8)12-7-6-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine?
2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).