4,4-difluoro-4-(2-fluorophenyl)butan-2-amine

C10H12F3N — CID 105455072

IUPAC4,4-difluoro-4-(2-fluorophenyl)butan-2-amine
SMILESCC(N)CC(F)(F)c1ccccc1F
InChIInChI=1S/C10H12F3N/c1-7(14)6-10(12,13)8-4-2-3-5-9(8)11/h2-5,7H,6,14H2,1H3
InChIKeyHHBOXTINNCXKSK-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.65
Rot. Bonds3

About 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine

4,4-difluoro-4-(2-fluorophenyl)butan-2-amine (PubChem CID 105455072) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name4,4-difluoro-4-(2-fluorophenyl)butan-2-amine
PubChem CID105455072
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name4,4-difluoro-4-(2-fluorophenyl)butan-2-amine
SMILESCC(N)CC(F)(F)c1ccccc1F
InChIInChI=1S/C10H12F3N/c1-7(14)6-10(12,13)8-4-2-3-5-9(8)11/h2-5,7H,6,14H2,1H3
InChIKeyHHBOXTINNCXKSK-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
CID 142299997
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
4-(2-fluorophenoxy)-4-methylpentan-2-amine
CID 82078105
6,6-difluoro-6-(2-fluorophenyl)hexan-1-amine
CID 83855408
methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate
CID 105492147
3,3-difluoro-3-(2-fluorophenyl)propanenitrile
CID 83855469
N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 83108577
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-fluoro-3-(2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105466737
2-(4-amino-2-methylpentan-2-yl)phenol
CID 143655608
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine (CID 105455072) is 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine is CC(N)CC(F)(F)c1ccccc1F.
What is the InChIKey of 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine?
The InChIKey is HHBOXTINNCXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(14)6-10(12,13)8-4-2-3-5-9(8)11/h2-5,7H,6,14H2,1H3.
What are the key properties of 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine?
4,4-difluoro-4-(2-fluorophenyl)butan-2-amine has a molecular weight of 203.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-4-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 105455072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).