(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine

C14H16FN — CID 143763393

IUPAC(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine
SMILESC=C(C)NC(=C)/C=c1/cc(F)cc/c1=C/C
InChIInChI=1S/C14H16FN/c1-5-12-6-7-14(15)9-13(12)8-11(4)16-10(2)3/h5-9,16H,2,4H2,1,3H3/b12-5-,13-8-
InChIKeyXMWQXTDNPHAJDC-OMIBXVLSSA-N
MW217.29 g/mol
LogP2.04
Rot. Bonds3

About (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine

(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine (PubChem CID 143763393) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine
PubChem CID143763393
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine
SMILESC=C(C)NC(=C)/C=c1/cc(F)cc/c1=C/C
InChIInChI=1S/C14H16FN/c1-5-12-6-7-14(15)9-13(12)8-11(4)16-10(2)3/h5-9,16H,2,4H2,1,3H3/b12-5-,13-8-
InChIKeyXMWQXTDNPHAJDC-OMIBXVLSSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine?
The IUPAC name of (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine (CID 143763393) is (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine.
What is the SMILES notation for (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine?
The canonical SMILES for (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine is C=C(C)NC(=C)/C=c1/cc(F)cc/c1=C/C.
What is the InChIKey of (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine?
The InChIKey is XMWQXTDNPHAJDC-OMIBXVLSSA-N. The full InChI is InChI=1S/C14H16FN/c1-5-12-6-7-14(15)9-13(12)8-11(4)16-10(2)3/h5-9,16H,2,4H2,1,3H3/b12-5-,13-8-.
What are the key properties of (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine?
(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine has a molecular weight of 217.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine is sourced from PubChem (CID 143763393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).