(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine

C9H10Cl2FN — CID 124567259

IUPAC(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
SMILESC[C@](F)(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FN/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-4H,5,13H2,1H3/t9-/m0/s1
InChIKeyZKKXDTKKADJPRC-VIFPVBQESA-N
MW222.09 g/mol
LogP3.14
Rot. Bonds2

About (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine

(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine (PubChem CID 124567259) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
PubChem CID124567259
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
SMILESC[C@](F)(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FN/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-4H,5,13H2,1H3/t9-/m0/s1
InChIKeyZKKXDTKKADJPRC-VIFPVBQESA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
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2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine
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2-(2,3-dichlorophenyl)-2-fluoropropan-1-amine
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2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine
CID 112566175
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
CID 69435849
CID 69435849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine?
The IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine (CID 124567259) is (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine?
The canonical SMILES for (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine is C[C@](F)(CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine?
The InChIKey is ZKKXDTKKADJPRC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10Cl2FN/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-4H,5,13H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine?
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine has a molecular weight of 222.09 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine is sourced from PubChem (CID 124567259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).