(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine

C15H25F2N — CID 130243422

IUPAC(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine
SMILESC=C/C=C(CCCN(CCC)CCC)\C(F)=C\F
InChIInChI=1S/C15H25F2N/c1-4-8-14(15(17)13-16)9-7-12-18(10-5-2)11-6-3/h4,8,13H,1,5-7,9-12H2,2-3H3/b14-8-,15-13-
InChIKeyPMRNRDSSIMWPKD-GMTFKXOCSA-N
MW257.37 g/mol
LogP4.78
Rot. Bonds10

About (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine

(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine (PubChem CID 130243422) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine
PubChem CID130243422
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine
SMILESC=C/C=C(CCCN(CCC)CCC)\C(F)=C\F
InChIInChI=1S/C15H25F2N/c1-4-8-14(15(17)13-16)9-7-12-18(10-5-2)11-6-3/h4,8,13H,1,5-7,9-12H2,2-3H3/b14-8-,15-13-
InChIKeyPMRNRDSSIMWPKD-GMTFKXOCSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine (CID 130243422) is (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine is C=C/C=C(CCCN(CCC)CCC)\C(F)=C\F.
What is the InChIKey of (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine?
The InChIKey is PMRNRDSSIMWPKD-GMTFKXOCSA-N. The full InChI is InChI=1S/C15H25F2N/c1-4-8-14(15(17)13-16)9-7-12-18(10-5-2)11-6-3/h4,8,13H,1,5-7,9-12H2,2-3H3/b14-8-,15-13-.
What are the key properties of (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine?
(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine has a molecular weight of 257.37 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine is sourced from PubChem (CID 130243422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).