N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline

C14H19F2N — CID 64776575

IUPACN-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
SMILESCC1CCC(C)C(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-9-3-4-10(2)14(7-9)17-11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyQVFCHKQBEAZGFX-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.20
Rot. Bonds2

About N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline

N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline (PubChem CID 64776575) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
PubChem CID64776575
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
SMILESCC1CCC(C)C(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-9-3-4-10(2)14(7-9)17-11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyQVFCHKQBEAZGFX-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline (CID 64776575) is N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline is CC1CCC(C)C(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline?
The InChIKey is QVFCHKQBEAZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-3-4-10(2)14(7-9)17-11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17H,3-4,7H2,1-2H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline?
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline has a molecular weight of 239.31 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline is sourced from PubChem (CID 64776575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).