[4-(3,3,3-trifluoropropyl)phenyl]methanamine

C10H12F3N — CID 126844791

IUPAC[4-(3,3,3-trifluoropropyl)phenyl]methanamine
SMILESNCc1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c11-10(12,13)6-5-8-1-3-9(7-14)4-2-8/h1-4H,5-7,14H2
InChIKeyMHAWGYMEABZWKK-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.64
Rot. Bonds3

About [4-(3,3,3-trifluoropropyl)phenyl]methanamine

[4-(3,3,3-trifluoropropyl)phenyl]methanamine (PubChem CID 126844791) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is [4-(3,3,3-trifluoropropyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3,3,3-trifluoropropyl)phenyl]methanamine
PubChem CID126844791
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name[4-(3,3,3-trifluoropropyl)phenyl]methanamine
SMILESNCc1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c11-10(12,13)6-5-8-1-3-9(7-14)4-2-8/h1-4H,5-7,14H2
InChIKeyMHAWGYMEABZWKK-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3,3-trifluoropropyl)phenyl]methanamine?
The IUPAC name of [4-(3,3,3-trifluoropropyl)phenyl]methanamine (CID 126844791) is [4-(3,3,3-trifluoropropyl)phenyl]methanamine.
What is the SMILES notation for [4-(3,3,3-trifluoropropyl)phenyl]methanamine?
The canonical SMILES for [4-(3,3,3-trifluoropropyl)phenyl]methanamine is NCc1ccc(CCC(F)(F)F)cc1.
What is the InChIKey of [4-(3,3,3-trifluoropropyl)phenyl]methanamine?
The InChIKey is MHAWGYMEABZWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-10(12,13)6-5-8-1-3-9(7-14)4-2-8/h1-4H,5-7,14H2.
What are the key properties of [4-(3,3,3-trifluoropropyl)phenyl]methanamine?
[4-(3,3,3-trifluoropropyl)phenyl]methanamine has a molecular weight of 203.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,3-trifluoropropyl)phenyl]methanamine is sourced from PubChem (CID 126844791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).