1-[4-(trifluoromethyl)phenyl]butan-2-amine

C11H14F3N — CID 13209728

IUPAC1-[4-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-2-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6,10H,2,7,15H2,1H3
InChIKeyBSJDAWBCYGXTSR-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.99
Rot. Bonds3

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

1-[4-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 13209728) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID13209728
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1-[4-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-2-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6,10H,2,7,15H2,1H3
InChIKeyBSJDAWBCYGXTSR-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]butan-2-amine (CID 13209728) is 1-[4-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]butan-2-amine is CCC(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is BSJDAWBCYGXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-2-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6,10H,2,7,15H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]butan-2-amine?
1-[4-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 13209728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).