N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline

C14H17F4N — CID 107643599

IUPACN-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
SMILESCC1CC(C)CC(Nc2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C14H17F4N/c1-7-3-8(2)5-9(4-7)19-14-12(17)10(15)6-11(16)13(14)18/h6-9,19H,3-5H2,1-2H3
InChIKeyKEYPQAMSGDFRTI-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.48
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline

N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline (PubChem CID 107643599) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
PubChem CID107643599
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC NameN-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
SMILESCC1CC(C)CC(Nc2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C14H17F4N/c1-7-3-8(2)5-9(4-7)19-14-12(17)10(15)6-11(16)13(14)18/h6-9,19H,3-5H2,1-2H3
InChIKeyKEYPQAMSGDFRTI-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline (CID 107643599) is N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline is CC1CC(C)CC(Nc2c(F)c(F)cc(F)c2F)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The InChIKey is KEYPQAMSGDFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-7-3-8(2)5-9(4-7)19-14-12(17)10(15)6-11(16)13(14)18/h6-9,19H,3-5H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline has a molecular weight of 275.29 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).