(3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine

C11H16FN — CID 142964928

IUPAC(3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine
SMILESC=CC(/C=C\CF)=C(/NC)C(=C)C
InChIInChI=1S/C11H16FN/c1-5-10(7-6-8-12)11(13-4)9(2)3/h5-7,13H,1-2,8H2,3-4H3/b7-6-,11-10-
InChIKeyKVNMFXKVJPQTBK-QOXWLJPHSA-N
MW181.25 g/mol
LogP2.75
Rot. Bonds5

About (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine

(3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine (PubChem CID 142964928) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine
PubChem CID142964928
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine
SMILESC=CC(/C=C\CF)=C(/NC)C(=C)C
InChIInChI=1S/C11H16FN/c1-5-10(7-6-8-12)11(13-4)9(2)3/h5-7,13H,1-2,8H2,3-4H3/b7-6-,11-10-
InChIKeyKVNMFXKVJPQTBK-QOXWLJPHSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091
(3R)-2,7-difluoro-N,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130224811
5-fluoro-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 130272610
(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
CID 130321519
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
7-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 132162665

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine (CID 142964928) is (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine is C=CC(/C=C\CF)=C(/NC)C(=C)C.
What is the InChIKey of (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine?
The InChIKey is KVNMFXKVJPQTBK-QOXWLJPHSA-N. The full InChI is InChI=1S/C11H16FN/c1-5-10(7-6-8-12)11(13-4)9(2)3/h5-7,13H,1-2,8H2,3-4H3/b7-6-,11-10-.
What are the key properties of (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine?
(3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine has a molecular weight of 181.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-ethenyl-7-fluoro-N,2-dimethylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 142964928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).