3-(2-chlorophenyl)-3-fluorobutan-2-amine

C10H13ClFN — CID 105454003

IUPAC3-(2-chlorophenyl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C10H13ClFN/c1-7(13)10(2,12)8-5-3-4-6-9(8)11/h3-7H,13H2,1-2H3
InChIKeyRRDXIQSKKHBDLU-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.87
Rot. Bonds2

About 3-(2-chlorophenyl)-3-fluorobutan-2-amine

3-(2-chlorophenyl)-3-fluorobutan-2-amine (PubChem CID 105454003) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-fluorobutan-2-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-fluorobutan-2-amine
PubChem CID105454003
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-(2-chlorophenyl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C10H13ClFN/c1-7(13)10(2,12)8-5-3-4-6-9(8)11/h3-7H,13H2,1-2H3
InChIKeyRRDXIQSKKHBDLU-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine
CID 105469303
3-(2-chlorophenyl)-3-fluoro-2-methylbutanoic acid
CID 105488759
3-(2-chlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588716
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
CID 105469306
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 6921
3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol
CID 105492277
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
3-amino-2-(2,3-dichlorophenyl)butan-2-ol
CID 130574322
1-(1-bromo-2-fluoropropan-2-yl)-2-chlorobenzene
CID 53402375

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-fluorobutan-2-amine?
The IUPAC name of 3-(2-chlorophenyl)-3-fluorobutan-2-amine (CID 105454003) is 3-(2-chlorophenyl)-3-fluorobutan-2-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-fluorobutan-2-amine?
The canonical SMILES for 3-(2-chlorophenyl)-3-fluorobutan-2-amine is CC(N)C(C)(F)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-fluorobutan-2-amine?
The InChIKey is RRDXIQSKKHBDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7(13)10(2,12)8-5-3-4-6-9(8)11/h3-7H,13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-3-fluorobutan-2-amine?
3-(2-chlorophenyl)-3-fluorobutan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-fluorobutan-2-amine is sourced from PubChem (CID 105454003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).