1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine

C14H19ClF2N2 — CID 117466506

IUPAC1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
SMILESCC(F)(F)c1c(Cl)cccc1CCN1CCNCC1
InChIInChI=1S/C14H19ClF2N2/c1-14(16,17)13-11(3-2-4-12(13)15)5-8-19-9-6-18-7-10-19/h2-4,18H,5-10H2,1H3
InChIKeyRKWOJQBAAKRCAY-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine

1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine (PubChem CID 117466506) has the molecular formula C14H19ClF2N2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
PubChem CID117466506
Molecular FormulaC14H19ClF2N2
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC Name1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
SMILESCC(F)(F)c1c(Cl)cccc1CCN1CCNCC1
InChIInChI=1S/C14H19ClF2N2/c1-14(16,17)13-11(3-2-4-12(13)15)5-8-19-9-6-18-7-10-19/h2-4,18H,5-10H2,1H3
InChIKeyRKWOJQBAAKRCAY-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine (CID 117466506) is 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine is CC(F)(F)c1c(Cl)cccc1CCN1CCNCC1.
What is the InChIKey of 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
The InChIKey is RKWOJQBAAKRCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2/c1-14(16,17)13-11(3-2-4-12(13)15)5-8-19-9-6-18-7-10-19/h2-4,18H,5-10H2,1H3.
What are the key properties of 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine has a molecular weight of 288.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117466506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).