3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine

C11H13F2NO — CID 76996884

IUPAC3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine
SMILESCC(=CCN)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2NO/c1-8(5-6-14)9-3-2-4-10(7-9)15-11(12)13/h2-5,7,11H,6,14H2,1H3
InChIKeyAHVNYUDOUHAFMA-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.65
Rot. Bonds4

About 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine

3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine (PubChem CID 76996884) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine
PubChem CID76996884
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine
SMILESCC(=CCN)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2NO/c1-8(5-6-14)9-3-2-4-10(7-9)15-11(12)13/h2-5,7,11H,6,14H2,1H3
InChIKeyAHVNYUDOUHAFMA-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971224
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
3-(3-fluorophenyl)but-2-en-1-amine
CID 76996789
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
2-chloro-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 146008921
3-(4-phenoxyphenyl)but-2-en-1-amine
CID 54192751
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512945

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine (CID 76996884) is 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine is CC(=CCN)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine?
The InChIKey is AHVNYUDOUHAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-8(5-6-14)9-3-2-4-10(7-9)15-11(12)13/h2-5,7,11H,6,14H2,1H3.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine?
3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine is sourced from PubChem (CID 76996884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).