4-(2-fluoroethyl)-1-methylcyclohexan-1-amine

C9H18FN — CID 143177831

IUPAC4-(2-fluoroethyl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(CCF)CC1
InChIInChI=1S/C9H18FN/c1-9(11)5-2-8(3-6-9)4-7-10/h8H,2-7,11H2,1H3
InChIKeyPNOUJJGOWQVGTJ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds2

About 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine

4-(2-fluoroethyl)-1-methylcyclohexan-1-amine (PubChem CID 143177831) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1-methylcyclohexan-1-amine
PubChem CID143177831
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name4-(2-fluoroethyl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(CCF)CC1
InChIInChI=1S/C9H18FN/c1-9(11)5-2-8(3-6-9)4-7-10/h8H,2-7,11H2,1H3
InChIKeyPNOUJJGOWQVGTJ-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine?
The IUPAC name of 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine (CID 143177831) is 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine?
The canonical SMILES for 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine is CC1(N)CCC(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine?
The InChIKey is PNOUJJGOWQVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(11)5-2-8(3-6-9)4-7-10/h8H,2-7,11H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine?
4-(2-fluoroethyl)-1-methylcyclohexan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 143177831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).