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

C14H17Cl2F2N — CID 69328934

IUPAC1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)(F)CC1
InChIInChI=1S/C14H17Cl2F2N/c1-19-9-13(4-6-14(17,18)7-5-13)10-2-3-11(15)12(16)8-10/h2-3,8,19H,4-7,9H2,1H3
InChIKeyVDPYYIXZGPXIIH-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.66
Rot. Bonds3

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

1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine (PubChem CID 69328934) has the molecular formula C14H17Cl2F2N and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine
PubChem CID69328934
Molecular FormulaC14H17Cl2F2N
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)(F)CC1
InChIInChI=1S/C14H17Cl2F2N/c1-19-9-13(4-6-14(17,18)7-5-13)10-2-3-11(15)12(16)8-10/h2-3,8,19H,4-7,9H2,1H3
InChIKeyVDPYYIXZGPXIIH-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine (CID 69328934) is 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine is CNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)(F)CC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine?
The InChIKey is VDPYYIXZGPXIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2F2N/c1-19-9-13(4-6-14(17,18)7-5-13)10-2-3-11(15)12(16)8-10/h2-3,8,19H,4-7,9H2,1H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine?
1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine has a molecular weight of 308.20 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 69328934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).