trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine

C10H9F4N — CID 171921160

IUPACtrans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N/c11-7-2-5(8-4-9(8)15)1-6(3-7)10(12,13)14/h1-3,8-9H,4,15H2/t8-,9+/m1/s1
InChIKeyPOZUPBAXKTZXMN-BDAKNGLRSA-N
MW219.18 g/mol
LogP2.66
Rot. Bonds1

About trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine

trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 171921160) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID171921160
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Nametrans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N/c11-7-2-5(8-4-9(8)15)1-6(3-7)10(12,13)14/h1-3,8-9H,4,15H2/t8-,9+/m1/s1
InChIKeyPOZUPBAXKTZXMN-BDAKNGLRSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine (CID 171921160) is trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine is N[C@H]1C[C@@H]1c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is POZUPBAXKTZXMN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H9F4N/c11-7-2-5(8-4-9(8)15)1-6(3-7)10(12,13)14/h1-3,8-9H,4,15H2/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine?
trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 219.18 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 171921160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).