ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine

C10H17F4N — CID 145356124

IUPACethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
SMILESC=C(F)/C=C(\C)N(C)CC(F)(F)F.CC
InChIInChI=1S/C8H11F4N.C2H6/c1-6(9)4-7(2)13(3)5-8(10,11)12;1-2/h4H,1,5H2,2-3H3;1-2H3/b7-4+;
InChIKeyVZGDSGDNVBBOKQ-KQGICBIGSA-N
MW227.24 g/mol
LogP3.89
Rot. Bonds3

About ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine

ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine (PubChem CID 145356124) has the molecular formula C10H17F4N and a molecular weight of 227.24 g/mol. Its IUPAC name is ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Nameethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
PubChem CID145356124
Molecular FormulaC10H17F4N
Molecular Weight227.24 g/mol
Exact Mass227.13
IUPAC Nameethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
SMILESC=C(F)/C=C(\C)N(C)CC(F)(F)F.CC
InChIInChI=1S/C8H11F4N.C2H6/c1-6(9)4-7(2)13(3)5-8(10,11)12;1-2/h4H,1,5H2,2-3H3;1-2H3/b7-4+;
InChIKeyVZGDSGDNVBBOKQ-KQGICBIGSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2,2-difluoroethyl)-N-methylhexa-2,4-dien-2-amine
CID 123855399
N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
CID 123892342
N'-[(3E)-4,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099608
N'-[(3E)-3,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099623
ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine
CID 144539785
(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine
CID 146595709
1-methyl-6-(trifluoromethyl)-2H-pyridine
CID 153923992
(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine
CID 156741113
(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine
CID 159102843
(2Z)-1,1-difluoro-N-methyl-N-(2-methylpropyl)hexa-2,4-dien-2-amine
CID 167188073
(Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
CID 167287848
(2Z,4E,6E)-8,8,8-trifluoro-N,7-dimethyl-N-propan-2-ylocta-2,4,6-trien-4-amine
CID 169844780

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
The IUPAC name of ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine (CID 145356124) is ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
The canonical SMILES for ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine is C=C(F)/C=C(\C)N(C)CC(F)(F)F.CC.
What is the InChIKey of ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
The InChIKey is VZGDSGDNVBBOKQ-KQGICBIGSA-N. The full InChI is InChI=1S/C8H11F4N.C2H6/c1-6(9)4-7(2)13(3)5-8(10,11)12;1-2/h4H,1,5H2,2-3H3;1-2H3/b7-4+;.
What are the key properties of ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine has a molecular weight of 227.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 145356124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).