2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

C10H12F3N — CID 106883395

IUPAC2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)C(F)F)c(F)c1
InChIInChI=1S/C10H12F3N/c1-5-3-6(2)8(7(11)4-5)9(14)10(12)13/h3-4,9-10H,14H2,1-2H3
InChIKeyXYCSIMUVFUKMNV-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.71
Rot. Bonds2

About 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (PubChem CID 106883395) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
PubChem CID106883395
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)C(F)F)c(F)c1
InChIInChI=1S/C10H12F3N/c1-5-3-6(2)8(7(11)4-5)9(14)10(12)13/h3-4,9-10H,14H2,1-2H3
InChIKeyXYCSIMUVFUKMNV-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
CID 106883516
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (CID 106883395) is 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is Cc1cc(C)c(C(N)C(F)F)c(F)c1.
What is the InChIKey of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The InChIKey is XYCSIMUVFUKMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-5-3-6(2)8(7(11)4-5)9(14)10(12)13/h3-4,9-10H,14H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).