3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine

C11H15F2N — CID 105452091

IUPAC3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(F)c1cccc(F)c1
InChIInChI=1S/C11H15F2N/c1-11(2,7-14)10(13)8-4-3-5-9(12)6-8/h3-6,10H,7,14H2,1-2H3
InChIKeyAPBOTNPDKXAZEL-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.82
Rot. Bonds3

About 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine

3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 105452091) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID105452091
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(F)c1cccc(F)c1
InChIInChI=1S/C11H15F2N/c1-11(2,7-14)10(13)8-4-3-5-9(12)6-8/h3-6,10H,7,14H2,1-2H3
InChIKeyAPBOTNPDKXAZEL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
4-fluoro-4-(3-fluorophenyl)butan-1-amine
CID 83855480
N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine
CID 114872153
ethyl 3-(3-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397600
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 116726326
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 105452091) is 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(CN)C(F)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is APBOTNPDKXAZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-11(2,7-14)10(13)8-4-3-5-9(12)6-8/h3-6,10H,7,14H2,1-2H3.
What are the key properties of 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine?
3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 105452091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).