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

C13H14FNO — CID 143763676

IUPACN-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide
SMILESC=C(/C=c1/cc(F)cc/c1=C/C)NC(C)=O
InChIInChI=1S/C13H14FNO/c1-4-11-5-6-13(14)8-12(11)7-9(2)15-10(3)16/h4-8H,2H2,1,3H3,(H,15,16)/b11-4-,12-7-
InChIKeySZPQLXGIKVWEBI-MQIMOWMNSA-N
MW219.26 g/mol
LogP1.06
Rot. Bonds2

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

N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide (PubChem CID 143763676) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide
PubChem CID143763676
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC NameN-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide
SMILESC=C(/C=c1/cc(F)cc/c1=C/C)NC(C)=O
InChIInChI=1S/C13H14FNO/c1-4-11-5-6-13(14)8-12(11)7-9(2)15-10(3)16/h4-8H,2H2,1,3H3,(H,15,16)/b11-4-,12-7-
InChIKeySZPQLXGIKVWEBI-MQIMOWMNSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide?
The IUPAC name of N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide (CID 143763676) is N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide is C=C(/C=c1/cc(F)cc/c1=C/C)NC(C)=O.
What is the InChIKey of N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide?
The InChIKey is SZPQLXGIKVWEBI-MQIMOWMNSA-N. The full InChI is InChI=1S/C13H14FNO/c1-4-11-5-6-13(14)8-12(11)7-9(2)15-10(3)16/h4-8H,2H2,1,3H3,(H,15,16)/b11-4-,12-7-.
What are the key properties of N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide?
N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide has a molecular weight of 219.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide is sourced from PubChem (CID 143763676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).