N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline

C16H23F2N — CID 28523701

IUPACN-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
SMILESCC(C)(C)C1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H23F2N/c1-16(2,3)11-4-6-14(7-5-11)19-15-9-12(17)8-13(18)10-15/h8-11,14,19H,4-7H2,1-3H3
InChIKeyFVMQFFKFTUWGSP-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.98
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline

N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline (PubChem CID 28523701) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
PubChem CID28523701
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
SMILESCC(C)(C)C1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H23F2N/c1-16(2,3)11-4-6-14(7-5-11)19-15-9-12(17)8-13(18)10-15/h8-11,14,19H,4-7H2,1-3H3
InChIKeyFVMQFFKFTUWGSP-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline?
The IUPAC name of N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline (CID 28523701) is N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline is CC(C)(C)C1CCC(Nc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline?
The InChIKey is FVMQFFKFTUWGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-16(2,3)11-4-6-14(7-5-11)19-15-9-12(17)8-13(18)10-15/h8-11,14,19H,4-7H2,1-3H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline?
N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline has a molecular weight of 267.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline is sourced from PubChem (CID 28523701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).