2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine

C11H13F4N — CID 115040642

IUPAC2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
SMILESCC(F)(c1cccc(CCN)c1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-10(12,11(13,14)15)9-4-2-3-8(7-9)5-6-16/h2-4,7H,5-6,16H2,1H3
InChIKeyHPWSECLPMOFXCA-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.93
Rot. Bonds3

About 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine

2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine (PubChem CID 115040642) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
PubChem CID115040642
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
SMILESCC(F)(c1cccc(CCN)c1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-10(12,11(13,14)15)9-4-2-3-8(7-9)5-6-16/h2-4,7H,5-6,16H2,1H3
InChIKeyHPWSECLPMOFXCA-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
CID 66581986
5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
CID 70646222
4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
CID 116992656
3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
CID 71034690
4-(3-ethylphenyl)-4-methylpentan-1-amine
CID 70653652
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine (CID 115040642) is 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine is CC(F)(c1cccc(CCN)c1)C(F)(F)F.
What is the InChIKey of 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine?
The InChIKey is HPWSECLPMOFXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-10(12,11(13,14)15)9-4-2-3-8(7-9)5-6-16/h2-4,7H,5-6,16H2,1H3.
What are the key properties of 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine?
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine has a molecular weight of 235.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 115040642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).