[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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Related Compounds

1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
CID 67508680
[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
CID 70983747
N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide
CID 159992522
4-(3,3,3-trifluoropropyl)benzenesulfonic acid
CID 22621208
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 63591393
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
sulfuryl dichloride;3,3,3-trifluoropropylbenzene
CID 174656156
1-[4-(aminomethyl)phenyl]-N-(5,5,5-trifluoropentyl)methanesulfonamide
CID 115517870
4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
CID 84677883

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).