4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline

C13H17F2N — CID 163941610

IUPAC4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline
SMILESCCC(C)/C(F)=C\N(C)c1ccc(F)cc1
InChIInChI=1S/C13H17F2N/c1-4-10(2)13(15)9-16(3)12-7-5-11(14)6-8-12/h5-10H,4H2,1-3H3/b13-9+
InChIKeyRRLYMIALRNMLMO-UKTHLTGXSA-N
MW225.28 g/mol
LogP4.12
Rot. Bonds4

About 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline

4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline (PubChem CID 163941610) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline
PubChem CID163941610
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline
SMILESCCC(C)/C(F)=C\N(C)c1ccc(F)cc1
InChIInChI=1S/C13H17F2N/c1-4-10(2)13(15)9-16(3)12-7-5-11(14)6-8-12/h5-10H,4H2,1-3H3/b13-9+
InChIKeyRRLYMIALRNMLMO-UKTHLTGXSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline?
The IUPAC name of 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline (CID 163941610) is 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline.
What is the SMILES notation for 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline?
The canonical SMILES for 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline is CCC(C)/C(F)=C\N(C)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline?
The InChIKey is RRLYMIALRNMLMO-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H17F2N/c1-4-10(2)13(15)9-16(3)12-7-5-11(14)6-8-12/h5-10H,4H2,1-3H3/b13-9+.
What are the key properties of 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline?
4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline has a molecular weight of 225.28 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline is sourced from PubChem (CID 163941610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).