(Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane

C13H25F2N — CID 144510947

IUPAC(Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane
SMILESC=C(/C(=C\N(C)CC)CC)C(C)(F)F.CC
InChIInChI=1S/C11H19F2N.C2H6/c1-6-10(8-14(5)7-2)9(3)11(4,12)13;1-2/h8H,3,6-7H2,1-2,4-5H3;1-2H3/b10-8-;
InChIKeyVDHUDNHIKVHTPA-DQMXGCRQSA-N
MW233.35 g/mol
LogP4.47
Rot. Bonds5

About (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane

(Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane (PubChem CID 144510947) has the molecular formula C13H25F2N and a molecular weight of 233.35 g/mol. Its IUPAC name is (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane
PubChem CID144510947
Molecular FormulaC13H25F2N
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name(Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane
SMILESC=C(/C(=C\N(C)CC)CC)C(C)(F)F.CC
InChIInChI=1S/C11H19F2N.C2H6/c1-6-10(8-14(5)7-2)9(3)11(4,12)13;1-2/h8H,3,6-7H2,1-2,4-5H3;1-2H3/b10-8-;
InChIKeyVDHUDNHIKVHTPA-DQMXGCRQSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane?
The IUPAC name of (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane (CID 144510947) is (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane.
What is the SMILES notation for (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane?
The canonical SMILES for (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane is C=C(/C(=C\N(C)CC)CC)C(C)(F)F.CC.
What is the InChIKey of (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane?
The InChIKey is VDHUDNHIKVHTPA-DQMXGCRQSA-N. The full InChI is InChI=1S/C11H19F2N.C2H6/c1-6-10(8-14(5)7-2)9(3)11(4,12)13;1-2/h8H,3,6-7H2,1-2,4-5H3;1-2H3/b10-8-;.
What are the key properties of (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane?
(Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane has a molecular weight of 233.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-diethyl-4,4-difluoro-N-methyl-3-methylidenepent-1-en-1-amine;ethane is sourced from PubChem (CID 144510947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).