(3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane

C15H29F2N — CID 143346403

IUPAC(3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane
SMILESC=C/C(=C(\C=C/C)C(C)N)C(C)(F)F.CC.CC
InChIInChI=1S/C11H17F2N.2C2H6/c1-5-7-9(8(3)14)10(6-2)11(4,12)13;2*1-2/h5-8H,2,14H2,1,3-4H3;2*1-2H3/b7-5-,10-9-;;
InChIKeyVCNCHQXWIMOJSZ-MJRICWHISA-N
MW261.40 g/mol
LogP5.10
Rot. Bonds4

About (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane

(3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane (PubChem CID 143346403) has the molecular formula C15H29F2N and a molecular weight of 261.40 g/mol. Its IUPAC name is (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane.

Molecular Properties

Compound Name(3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane
PubChem CID143346403
Molecular FormulaC15H29F2N
Molecular Weight261.40 g/mol
Exact Mass261.23
IUPAC Name(3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane
SMILESC=C/C(=C(\C=C/C)C(C)N)C(C)(F)F.CC.CC
InChIInChI=1S/C11H17F2N.2C2H6/c1-5-7-9(8(3)14)10(6-2)11(4,12)13;2*1-2/h5-8H,2,14H2,1,3-4H3;2*1-2H3/b7-5-,10-9-;;
InChIKeyVCNCHQXWIMOJSZ-MJRICWHISA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane with MolForge

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Related Compounds

1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
(E)-1,1-difluoro-4-methylhept-3-ene-2,5-diamine
CID 20476198
1,1-Difluoro-4-methylhept-3-ene-2,5-diamine
CID 54214840
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
4-Ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-amine
CID 68084234
3,6-Difluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 69362924
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-1,1-difluoro-4-methyloct-3-ene-2,6-diamine
CID 88698396
(E)-6,6-difluoro-2-methylhex-2-ene-1,5-diamine
CID 88698831
(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine
CID 88698900
(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
CID 88998055

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane?
The IUPAC name of (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane (CID 143346403) is (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane.
What is the SMILES notation for (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane?
The canonical SMILES for (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane is C=C/C(=C(\C=C/C)C(C)N)C(C)(F)F.CC.CC.
What is the InChIKey of (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane?
The InChIKey is VCNCHQXWIMOJSZ-MJRICWHISA-N. The full InChI is InChI=1S/C11H17F2N.2C2H6/c1-5-7-9(8(3)14)10(6-2)11(4,12)13;2*1-2/h5-8H,2,14H2,1,3-4H3;2*1-2H3/b7-5-,10-9-;;.
What are the key properties of (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane?
(3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane has a molecular weight of 261.40 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(1,1-difluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane is sourced from PubChem (CID 143346403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).