2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine

C10H13ClFN — CID 117290539

IUPAC2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(Cl)c1CF
InChIInChI=1S/C10H13ClFN/c1-7(6-13)8-3-2-4-10(11)9(8)5-12/h2-4,7H,5-6,13H2,1H3
InChIKeyHDIMQNFKRCOJQO-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.87
Rot. Bonds3

About 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine

2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine (PubChem CID 117290539) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine
PubChem CID117290539
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(Cl)c1CF
InChIInChI=1S/C10H13ClFN/c1-7(6-13)8-3-2-4-10(11)9(8)5-12/h2-4,7H,5-6,13H2,1H3
InChIKeyHDIMQNFKRCOJQO-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine (CID 117290539) is 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine is CC(CN)c1cccc(Cl)c1CF.
What is the InChIKey of 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine?
The InChIKey is HDIMQNFKRCOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7(6-13)8-3-2-4-10(11)9(8)5-12/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine?
2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine has a molecular weight of 201.67 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117290539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).