(1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine

C11H17F2NO — CID 134408995

IUPAC(1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine
SMILESCC/C=C1/OCCC(F)(F)/C1=C/C(C)N
InChIInChI=1S/C11H17F2NO/c1-3-4-10-9(7-8(2)14)11(12,13)5-6-15-10/h4,7-8H,3,5-6,14H2,1-2H3/b9-7+,10-4+
InChIKeyFMECLXRLRDHGSY-FXLUECPISA-N
MW217.26 g/mol
LogP2.61
Rot. Bonds2

About (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine

(1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine (PubChem CID 134408995) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine.

Molecular Properties

Compound Name(1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine
PubChem CID134408995
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine
SMILESCC/C=C1/OCCC(F)(F)/C1=C/C(C)N
InChIInChI=1S/C11H17F2NO/c1-3-4-10-9(7-8(2)14)11(12,13)5-6-15-10/h4,7-8H,3,5-6,14H2,1-2H3/b9-7+,10-4+
InChIKeyFMECLXRLRDHGSY-FXLUECPISA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine?
The IUPAC name of (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine (CID 134408995) is (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine.
What is the SMILES notation for (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine?
The canonical SMILES for (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine is CC/C=C1/OCCC(F)(F)/C1=C/C(C)N.
What is the InChIKey of (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine?
The InChIKey is FMECLXRLRDHGSY-FXLUECPISA-N. The full InChI is InChI=1S/C11H17F2NO/c1-3-4-10-9(7-8(2)14)11(12,13)5-6-15-10/h4,7-8H,3,5-6,14H2,1-2H3/b9-7+,10-4+.
What are the key properties of (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine?
(1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine has a molecular weight of 217.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2E)-4,4-difluoro-2-propylideneoxan-3-ylidene]propan-2-amine is sourced from PubChem (CID 134408995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).