2-(4,4-difluoropiperidin-1-yl)ethanamine

C7H14F2N2 — CID 2758354

IUPAC2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCCN1CCC(F)(F)CC1
InChIInChI=1S/C7H14F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-6,10H2
InChIKeyBVYNFUYPUXPMCI-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.68
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)ethanamine (PubChem CID 2758354) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)ethanamine
PubChem CID2758354
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCCN1CCC(F)(F)CC1
InChIInChI=1S/C7H14F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-6,10H2
InChIKeyBVYNFUYPUXPMCI-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
3-(4,4-difluoroazepan-1-yl)propan-1-amine
CID 115019061
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine
CID 116991196
1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 121203305
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
(4,4-difluoropiperidin-1-yl)methanethiol
CID 116991227
4,4-difluoro-1-heptylpiperidine
CID 138507375
ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
CID 142194562
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585
methane;2-piperidin-1-ylethanamine
CID 158303452

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)ethanamine (CID 2758354) is 2-(4,4-difluoropiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)ethanamine is NCCN1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)ethanamine?
The InChIKey is BVYNFUYPUXPMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-6,10H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)ethanamine has a molecular weight of 164.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)ethanamine is sourced from PubChem (CID 2758354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).