(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

C12H19F2NO — CID 143994577

IUPAC(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C(=C\C(=C)N(C)CCOC)C(F)F
InChIInChI=1S/C12H19F2NO/c1-9(2)11(12(13)14)8-10(3)15(4)6-7-16-5/h8,12H,1,3,6-7H2,2,4-5H3/b11-8+
InChIKeyFSZRPVKPJBSOLN-DHZHZOJOSA-N
MW231.29 g/mol
LogP2.85
Rot. Bonds7

About (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 143994577) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID143994577
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C(=C\C(=C)N(C)CCOC)C(F)F
InChIInChI=1S/C12H19F2NO/c1-9(2)11(12(13)14)8-10(3)15(4)6-7-16-5/h8,12H,1,3,6-7H2,2,4-5H3/b11-8+
InChIKeyFSZRPVKPJBSOLN-DHZHZOJOSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine
CID 138703019
ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143942291
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-(5-Ethyl-7-fluorocyclohepta-1,4,6-trien-1-yl)morpholine
CID 167284429
1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine
CID 174885718
4-[(3E)-4-(difluoromethyl)-5-methylhexa-1,3,5-trien-2-yl]morpholine
CID 143922304
(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143942292
(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144607365
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
(3E)-3-(difluoromethyl)-5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal
CID 162545247
1,1-bis(2-methoxyethyl)-4,6-dimethyl-2H-pyridin-1-ium
CID 21651751

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 143994577) is (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(C)/C(=C\C(=C)N(C)CCOC)C(F)F.
What is the InChIKey of (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is FSZRPVKPJBSOLN-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-9(2)11(12(13)14)8-10(3)15(4)6-7-16-5/h8,12H,1,3,6-7H2,2,4-5H3/b11-8+.
What are the key properties of (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 231.29 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143994577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).