(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine

C10H12F3N — CID 36690242

IUPAC(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(14)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7H,6,14H2,1H3/t7-/m0/s1
InChIKeySUUROQOAYQTBFV-ZETCQYMHSA-N
MW203.21 g/mol
LogP2.60
Rot. Bonds2

About (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine

(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 36690242) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID36690242
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(14)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7H,6,14H2,1H3/t7-/m0/s1
InChIKeySUUROQOAYQTBFV-ZETCQYMHSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 36690242) is (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine is C[C@H](N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is SUUROQOAYQTBFV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(14)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7H,6,14H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine?
(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 203.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 36690242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).