3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine

C12H14Cl2FN — CID 112567366

IUPAC3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2FN/c13-10-4-3-8(6-11(10)14)12(15)5-1-2-9(16)7-12/h3-4,6,9H,1-2,5,7,16H2
InChIKeyPTNUVQGIBFDEOE-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.06
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine

3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine (PubChem CID 112567366) has the molecular formula C12H14Cl2FN and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
PubChem CID112567366
Molecular FormulaC12H14Cl2FN
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2FN/c13-10-4-3-8(6-11(10)14)12(15)5-1-2-9(16)7-12/h3-4,6,9H,1-2,5,7,16H2
InChIKeyPTNUVQGIBFDEOE-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine (CID 112567366) is 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine is NC1CCCC(F)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
The InChIKey is PTNUVQGIBFDEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN/c13-10-4-3-8(6-11(10)14)12(15)5-1-2-9(16)7-12/h3-4,6,9H,1-2,5,7,16H2.
What are the key properties of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine has a molecular weight of 262.15 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 112567366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).