1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine

C11H15F2N — CID 117288691

IUPAC1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cccc(F)c1CF
InChIInChI=1S/C11H15F2N/c1-11(2,14)6-8-4-3-5-10(13)9(8)7-12/h3-5H,6-7,14H2,1-2H3
InChIKeyMJWQIOGNWCFIOC-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.58
Rot. Bonds3

About 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine

1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117288691) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine
PubChem CID117288691
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cccc(F)c1CF
InChIInChI=1S/C11H15F2N/c1-11(2,14)6-8-4-3-5-10(13)9(8)7-12/h3-5H,6-7,14H2,1-2H3
InChIKeyMJWQIOGNWCFIOC-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
CID 117302010
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
3-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114931229
2-(2-amino-2-methylpropyl)phenol
CID 22723438
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
3-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112653213
1-(2,6-difluorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 114931214
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
1-(2-tert-butylphenyl)-2-methylpropan-2-amine
CID 84778784
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine (CID 117288691) is 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine is CC(C)(N)Cc1cccc(F)c1CF.
What is the InChIKey of 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is MJWQIOGNWCFIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-11(2,14)6-8-4-3-5-10(13)9(8)7-12/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine?
1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117288691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).