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

C10H12F3N — CID 84671367

IUPAC[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine
SMILESCC(C)(F)c1cc(F)c(F)c(CN)c1
InChIInChI=1S/C10H12F3N/c1-10(2,13)7-3-6(5-14)9(12)8(11)4-7/h3-4H,5,14H2,1-2H3
InChIKeyHYOQNZOIJQGRPM-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.63
Rot. Bonds2

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

[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine (PubChem CID 84671367) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine
PubChem CID84671367
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine
SMILESCC(C)(F)c1cc(F)c(F)c(CN)c1
InChIInChI=1S/C10H12F3N/c1-10(2,13)7-3-6(5-14)9(12)8(11)4-7/h3-4H,5,14H2,1-2H3
InChIKeyHYOQNZOIJQGRPM-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine?
The IUPAC name of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine (CID 84671367) is [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine is CC(C)(F)c1cc(F)c(F)c(CN)c1.
What is the InChIKey of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine?
The InChIKey is HYOQNZOIJQGRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-10(2,13)7-3-6(5-14)9(12)8(11)4-7/h3-4H,5,14H2,1-2H3.
What are the key properties of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine?
[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine has a molecular weight of 203.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine is sourced from PubChem (CID 84671367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).