(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine

C11H13F2NO — CID 103091591

IUPAC(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
SMILESCC(N)/C=C/c1ccccc1OC(F)F
InChIInChI=1S/C11H13F2NO/c1-8(14)6-7-9-4-2-3-5-10(9)15-11(12)13/h2-8,11H,14H2,1H3/b7-6+
InChIKeySHIUKNLSJVHBFW-VOTSOKGWSA-N
MW213.23 g/mol
LogP2.65
Rot. Bonds4

About (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine

(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine (PubChem CID 103091591) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
PubChem CID103091591
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
SMILESCC(N)/C=C/c1ccccc1OC(F)F
InChIInChI=1S/C11H13F2NO/c1-8(14)6-7-9-4-2-3-5-10(9)15-11(12)13/h2-8,11H,14H2,1H3/b7-6+
InChIKeySHIUKNLSJVHBFW-VOTSOKGWSA-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

(E)-4-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-2-amine
CID 103091905
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
3-[2-(difluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169455478
[2-(difluoromethoxy)phenyl]methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 91805708
(E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal
CID 173269741
3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
CID 79330784
(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine
CID 131240457
(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857424
3-[2-(difluoromethoxy)phenyl]-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 111486475
(E)-N-tert-butyl-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 47137697
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine?
The IUPAC name of (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine (CID 103091591) is (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine.
What is the SMILES notation for (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine?
The canonical SMILES for (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine is CC(N)/C=C/c1ccccc1OC(F)F.
What is the InChIKey of (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine?
The InChIKey is SHIUKNLSJVHBFW-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-8(14)6-7-9-4-2-3-5-10(9)15-11(12)13/h2-8,11H,14H2,1H3/b7-6+.
What are the key properties of (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine?
(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-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 (E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine is sourced from PubChem (CID 103091591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).