1-(4,4-difluorocyclohexyl)ethanamine

C8H15F2N — CID 21016048

IUPAC1-(4,4-difluorocyclohexyl)ethanamine
SMILESCC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h6-7H,2-5,11H2,1H3
InChIKeyPQXBNSCUACNFMG-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.16
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)ethanamine

1-(4,4-difluorocyclohexyl)ethanamine (PubChem CID 21016048) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)ethanamine
PubChem CID21016048
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name1-(4,4-difluorocyclohexyl)ethanamine
SMILESCC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h6-7H,2-5,11H2,1H3
InChIKeyPQXBNSCUACNFMG-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)ethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)ethanamine (CID 21016048) is 1-(4,4-difluorocyclohexyl)ethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)ethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)ethanamine is CC(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)ethanamine?
The InChIKey is PQXBNSCUACNFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h6-7H,2-5,11H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)ethanamine?
1-(4,4-difluorocyclohexyl)ethanamine has a molecular weight of 163.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)ethanamine is sourced from PubChem (CID 21016048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).