3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline

C13H15ClF3N — CID 64758672

IUPAC3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)(F)C1CCCCC1Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClF3N/c14-9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(15,16)17/h3-5,8,11-12,18H,1-2,6-7H2
InChIKeyMIRDKFMLYOOKRR-UHFFFAOYSA-N
MW277.72 g/mol
LogP4.87
Rot. Bonds2

About 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline

3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64758672) has the molecular formula C13H15ClF3N and a molecular weight of 277.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64758672
Molecular FormulaC13H15ClF3N
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)(F)C1CCCCC1Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClF3N/c14-9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(15,16)17/h3-5,8,11-12,18H,1-2,6-7H2
InChIKeyMIRDKFMLYOOKRR-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 64758672) is 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline is FC(F)(F)C1CCCCC1Nc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is MIRDKFMLYOOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N/c14-9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(15,16)17/h3-5,8,11-12,18H,1-2,6-7H2.
What are the key properties of 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 277.72 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64758672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).