2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine

C12H16F3N — CID 117334212

IUPAC2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(C(C)(C)F)cc(F)c1F
InChIInChI=1S/C12H16F3N/c1-11(2,15)7-5-8(12(3,4)16)10(14)9(13)6-7/h5-6H,16H2,1-4H3
InChIKeyNCUXNHPRDBINOK-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.36
Rot. Bonds2

About 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine

2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine (PubChem CID 117334212) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine
PubChem CID117334212
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(C(C)(C)F)cc(F)c1F
InChIInChI=1S/C12H16F3N/c1-11(2,15)7-5-8(12(3,4)16)10(14)9(13)6-7/h5-6H,16H2,1-4H3
InChIKeyNCUXNHPRDBINOK-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine (CID 117334212) is 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine is CC(C)(N)c1cc(C(C)(C)F)cc(F)c1F.
What is the InChIKey of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine?
The InChIKey is NCUXNHPRDBINOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-11(2,15)7-5-8(12(3,4)16)10(14)9(13)6-7/h5-6H,16H2,1-4H3.
What are the key properties of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine?
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117334212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).