2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine

C11H15F2N — CID 112566875

IUPAC2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1ccccc1F
InChIInChI=1S/C11H15F2N/c1-8(2)11(13,7-14)9-5-3-4-6-10(9)12/h3-6,8H,7,14H2,1-2H3
InChIKeyDUOBHNKTHSPPPQ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.61
Rot. Bonds3

About 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine

2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine (PubChem CID 112566875) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
PubChem CID112566875
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1ccccc1F
InChIInChI=1S/C11H15F2N/c1-8(2)11(13,7-14)9-5-3-4-6-10(9)12/h3-6,8H,7,14H2,1-2H3
InChIKeyDUOBHNKTHSPPPQ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine
CID 112566903
2-(2,3-difluoro-4-methylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 107514807
3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105466737
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
4,4-difluoro-4-(2-fluorophenyl)butan-2-amine
CID 105455072
2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine
CID 112566767
ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
CID 142299997
2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine
CID 112566954
3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 84736635
2-amino-1,1-bis(2-fluorophenyl)ethanol
CID 139948069
2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048006
(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine (CID 112566875) is 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine is CC(C)C(F)(CN)c1ccccc1F.
What is the InChIKey of 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine?
The InChIKey is DUOBHNKTHSPPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-8(2)11(13,7-14)9-5-3-4-6-10(9)12/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine?
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 112566875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).