2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline

C15H18ClF2N — CID 83082038

IUPAC2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline
SMILESFc1cc(F)c(NC2CCCC(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C15H18ClF2N/c16-13-7-11(17)8-14(18)15(13)19-12-3-1-2-10(6-12)9-4-5-9/h7-10,12,19H,1-6H2
InChIKeyKWOUHNXEZUXDAS-UHFFFAOYSA-N
MW285.76 g/mol
LogP5.00
Rot. Bonds3

About 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline

2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline (PubChem CID 83082038) has the molecular formula C15H18ClF2N and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline
PubChem CID83082038
Molecular FormulaC15H18ClF2N
Molecular Weight285.76 g/mol
Exact Mass285.11
IUPAC Name2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline
SMILESFc1cc(F)c(NC2CCCC(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C15H18ClF2N/c16-13-7-11(17)8-14(18)15(13)19-12-3-1-2-10(6-12)9-4-5-9/h7-10,12,19H,1-6H2
InChIKeyKWOUHNXEZUXDAS-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline?
The IUPAC name of 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline (CID 83082038) is 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline is Fc1cc(F)c(NC2CCCC(C3CC3)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline?
The InChIKey is KWOUHNXEZUXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2N/c16-13-7-11(17)8-14(18)15(13)19-12-3-1-2-10(6-12)9-4-5-9/h7-10,12,19H,1-6H2.
What are the key properties of 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline?
2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline has a molecular weight of 285.76 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline is sourced from PubChem (CID 83082038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).