4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline

C10H10F3N — CID 71669152

IUPAC4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline
SMILESNc1ccc([C@H]2C[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-5-8(9)6-1-3-7(14)4-2-6/h1-4,8-9H,5,14H2/t8-,9+/m1/s1
InChIKeyQFLSUYZZQRPEQH-BDAKNGLRSA-N
MW201.19 g/mol
LogP2.93
Rot. Bonds1

About 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline

4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline (PubChem CID 71669152) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline.

Molecular Properties

Compound Name4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline
PubChem CID71669152
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline
SMILESNc1ccc([C@H]2C[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-5-8(9)6-1-3-7(14)4-2-6/h1-4,8-9H,5,14H2/t8-,9+/m1/s1
InChIKeyQFLSUYZZQRPEQH-BDAKNGLRSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline?
The IUPAC name of 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline (CID 71669152) is 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline.
What is the SMILES notation for 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline?
The canonical SMILES for 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline is Nc1ccc([C@H]2C[C@@H]2C(F)(F)F)cc1.
What is the InChIKey of 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline?
The InChIKey is QFLSUYZZQRPEQH-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)9-5-8(9)6-1-3-7(14)4-2-6/h1-4,8-9H,5,14H2/t8-,9+/m1/s1.
What are the key properties of 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline?
4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline has a molecular weight of 201.19 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 71669152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).