1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine

C15H19Cl2F2N — CID 68674928

IUPAC1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCC(F)(F)C1
InChIInChI=1S/C15H19Cl2F2N/c1-20(2)10-14(6-3-7-15(18,19)9-14)11-4-5-12(16)13(17)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyJLKOYRAHLGKMSS-UHFFFAOYSA-N
MW322.23 g/mol
LogP5.00
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine

1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine (PubChem CID 68674928) has the molecular formula C15H19Cl2F2N and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine
PubChem CID68674928
Molecular FormulaC15H19Cl2F2N
Molecular Weight322.23 g/mol
Exact Mass321.09
IUPAC Name1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCC(F)(F)C1
InChIInChI=1S/C15H19Cl2F2N/c1-20(2)10-14(6-3-7-15(18,19)9-14)11-4-5-12(16)13(17)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyJLKOYRAHLGKMSS-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.23
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine (CID 68674928) is 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCC(F)(F)C1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is JLKOYRAHLGKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2F2N/c1-20(2)10-14(6-3-7-15(18,19)9-14)11-4-5-12(16)13(17)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine?
1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 322.23 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 68674928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).