2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

C10H9F4N — CID 25147685

IUPAC2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESNC1CC1(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F4N/c11-9(5-8(9)15)6-1-3-7(4-2-6)10(12,13)14/h1-4,8H,5,15H2
InChIKeyUHPFUDXNUSLKBE-UHFFFAOYSA-N
MW219.18 g/mol
LogP2.60
Rot. Bonds1

About 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 25147685) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID25147685
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESNC1CC1(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F4N/c11-9(5-8(9)15)6-1-3-7(4-2-6)10(12,13)14/h1-4,8H,5,15H2
InChIKeyUHPFUDXNUSLKBE-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine (CID 25147685) is 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine is NC1CC1(F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is UHPFUDXNUSLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N/c11-9(5-8(9)15)6-1-3-7(4-2-6)10(12,13)14/h1-4,8H,5,15H2.
What are the key properties of 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 219.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 25147685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).