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

C12H14Cl2FN — CID 112562268

IUPAC4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2FN/c13-10-2-1-8(7-11(10)14)12(15)5-3-9(16)4-6-12/h1-2,7,9H,3-6,16H2
InChIKeyXAGPOGVXWUHGMF-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.06
Rot. Bonds1

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

4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine (PubChem CID 112562268) has the molecular formula C12H14Cl2FN and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
PubChem CID112562268
Molecular FormulaC12H14Cl2FN
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2FN/c13-10-2-1-8(7-11(10)14)12(15)5-3-9(16)4-6-12/h1-2,7,9H,3-6,16H2
InChIKeyXAGPOGVXWUHGMF-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 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine (CID 112562268) is 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine is NC1CCC(F)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine?
The InChIKey is XAGPOGVXWUHGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN/c13-10-2-1-8(7-11(10)14)12(15)5-3-9(16)4-6-12/h1-2,7,9H,3-6,16H2.
What are the key properties of 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine?
4-(3,4-dichlorophenyl)-4-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 4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).