(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine

C6H8F3NO — CID 173489040

IUPAC(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
SMILESC/C=C\C(N)=COC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-5(10)4-11-6(7,8)9/h2-4H,10H2,1H3/b3-2-,5-4?
InChIKeySYPBIDDZTLETDF-XVNXTKTRSA-N
MW167.13 g/mol
LogP1.90
Rot. Bonds2

About (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine

(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine (PubChem CID 173489040) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
PubChem CID173489040
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
SMILESC/C=C\C(N)=COC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-5(10)4-11-6(7,8)9/h2-4H,10H2,1H3/b3-2-,5-4?
InChIKeySYPBIDDZTLETDF-XVNXTKTRSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
CID 155442227
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
cyclopentane;1,1-difluoro-2-(trifluoromethoxy)ethene
CID 175120535
(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
CID 88558814
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine
CID 163979290
N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
CID 130341577

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine?
The IUPAC name of (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine (CID 173489040) is (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine is C/C=C\C(N)=COC(F)(F)F.
What is the InChIKey of (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine?
The InChIKey is SYPBIDDZTLETDF-XVNXTKTRSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-3-5(10)4-11-6(7,8)9/h2-4H,10H2,1H3/b3-2-,5-4?.
What are the key properties of (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine?
(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine has a molecular weight of 167.13 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine is sourced from PubChem (CID 173489040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).