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

C12H17F2N — CID 105466737

IUPAC3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)C(C)(F)c1ccccc1F
InChIInChI=1S/C12H17F2N/c1-11(2,8-15)12(3,14)9-6-4-5-7-10(9)13/h4-7H,8,15H2,1-3H3
InChIKeyUUJGORLGDYTLEY-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.00
Rot. Bonds3

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

3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine (PubChem CID 105466737) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine
PubChem CID105466737
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)C(C)(F)c1ccccc1F
InChIInChI=1S/C12H17F2N/c1-11(2,8-15)12(3,14)9-6-4-5-7-10(9)13/h4-7H,8,15H2,1-3H3
InChIKeyUUJGORLGDYTLEY-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 105483183
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 84736635
4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
CID 66089558
2-amino-1,1-bis(2-fluorophenyl)ethanol
CID 139948069
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-(2-tert-butylphenyl)-2,2-difluoroethanamine
CID 105425410
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
2-(2-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 54919515
1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933473

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine (CID 105466737) is 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine is CC(C)(CN)C(C)(F)c1ccccc1F.
What is the InChIKey of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is UUJGORLGDYTLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-11(2,8-15)12(3,14)9-6-4-5-7-10(9)13/h4-7H,8,15H2,1-3H3.
What are the key properties of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine?
3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105466737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).