N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline

C11H12F3NO — CID 103438948

IUPACN-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccc(NC2CC2)cc1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-16-10-5-3-9(4-6-10)15-8-1-2-8/h3-6,8,15H,1-2,7H2
InChIKeyLDKBGZNSDXLKBQ-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.20
Rot. Bonds4

About N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline

N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline (PubChem CID 103438948) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
PubChem CID103438948
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccc(NC2CC2)cc1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-16-10-5-3-9(4-6-10)15-8-1-2-8/h3-6,8,15H,1-2,7H2
InChIKeyLDKBGZNSDXLKBQ-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686729
N-[4-(2,2,2-trifluoroethoxy)phenyl]thiolan-3-amine
CID 43686705
N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride
CID 141036211
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]thian-3-amine
CID 79957920
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60841072
N-(4-methylcyclohexyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine
CID 46239184
(3R)-3-[4-(2,2,2-trifluoroethoxy)anilino]azepan-2-one
CID 51982995
N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677195
4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075157
N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43781718
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline (CID 103438948) is N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccc(NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is LDKBGZNSDXLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)7-16-10-5-3-9(4-6-10)15-8-1-2-8/h3-6,8,15H,1-2,7H2.
What are the key properties of N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline?
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 231.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 103438948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).