N-cyclopropyl-3,5-bis(trifluoromethyl)aniline

C11H9F6N — CID 86655697

IUPACN-cyclopropyl-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F6N/c12-10(13,14)6-3-7(11(15,16)17)5-9(4-6)18-8-1-2-8/h3-5,8,18H,1-2H2
InChIKeyCHDYOHXGXQIHNB-UHFFFAOYSA-N
MW269.19 g/mol
LogP4.30
Rot. Bonds2

About N-cyclopropyl-3,5-bis(trifluoromethyl)aniline

N-cyclopropyl-3,5-bis(trifluoromethyl)aniline (PubChem CID 86655697) has the molecular formula C11H9F6N and a molecular weight of 269.19 g/mol. Its IUPAC name is N-cyclopropyl-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-3,5-bis(trifluoromethyl)aniline
PubChem CID86655697
Molecular FormulaC11H9F6N
Molecular Weight269.19 g/mol
Exact Mass269.06
IUPAC NameN-cyclopropyl-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F6N/c12-10(13,14)6-3-7(11(15,16)17)5-9(4-6)18-8-1-2-8/h3-5,8,18H,1-2H2
InChIKeyCHDYOHXGXQIHNB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-cyclopropyl-3,5-bis(trifluoromethyl)aniline (CID 86655697) is N-cyclopropyl-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-cyclopropyl-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-cyclopropyl-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(NC2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-3,5-bis(trifluoromethyl)aniline?
The InChIKey is CHDYOHXGXQIHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N/c12-10(13,14)6-3-7(11(15,16)17)5-9(4-6)18-8-1-2-8/h3-5,8,18H,1-2H2.
What are the key properties of N-cyclopropyl-3,5-bis(trifluoromethyl)aniline?
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline has a molecular weight of 269.19 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 86655697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).