3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine

C10H11F2N — CID 118395111

IUPAC3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine
SMILESCC(=C(N)c1ccccc1)C(F)F
InChIInChI=1S/C10H11F2N/c1-7(10(11)12)9(13)8-5-3-2-4-6-8/h2-6,10H,13H2,1H3
InChIKeyGPGHEBONNPGQOK-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.64
Rot. Bonds2

About 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine

3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine (PubChem CID 118395111) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine
PubChem CID118395111
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine
SMILESCC(=C(N)c1ccccc1)C(F)F
InChIInChI=1S/C10H11F2N/c1-7(10(11)12)9(13)8-5-3-2-4-6-8/h2-6,10H,13H2,1H3
InChIKeyGPGHEBONNPGQOK-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-N-methyl-1-phenylprop-1-ene-1,2-diamine
CID 145093299
dichloroplatinum;1,2-diphenylethene-1,2-diamine
CID 88758515
(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 175518211
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
1,2-diphenylethene-1,2-diamine;sulfuric acid
CID 70255418
2-[amino(phenyl)methylidene]propane-1,3-diol
CID 67517507
(2,3-dimethyl-1-phenylbut-1-enyl)benzene
CID 15438795
benzamide;2,3-dimethylbutane
CID 162214835
acetyl chloride;benzamide
CID 160666659
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
2-fluoro-1-phenylprop-1-en-1-ol
CID 164853949

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine?
The IUPAC name of 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine (CID 118395111) is 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine.
What is the SMILES notation for 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine?
The canonical SMILES for 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine is CC(=C(N)c1ccccc1)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine?
The InChIKey is GPGHEBONNPGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-7(10(11)12)9(13)8-5-3-2-4-6-8/h2-6,10H,13H2,1H3.
What are the key properties of 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine?
3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 118395111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).