(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine

C16H23F2N — CID 130324142

IUPAC(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine
SMILESC=C(CC/C(=C\CC)N(C)C)C1=C(F)C=C(F)CC1
InChIInChI=1S/C16H23F2N/c1-5-6-14(19(3)4)9-7-12(2)15-10-8-13(17)11-16(15)18/h6,11H,2,5,7-10H2,1,3-4H3/b14-6+
InChIKeyCDRIBCHOHUBYDG-MKMNVTDBSA-N
MW267.36 g/mol
LogP5.05
Rot. Bonds6

About (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine

(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine (PubChem CID 130324142) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine.

Molecular Properties

Compound Name(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine
PubChem CID130324142
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine
SMILESC=C(CC/C(=C\CC)N(C)C)C1=C(F)C=C(F)CC1
InChIInChI=1S/C16H23F2N/c1-5-6-14(19(3)4)9-7-12(2)15-10-8-13(17)11-16(15)18/h6,11H,2,5,7-10H2,1,3-4H3/b14-6+
InChIKeyCDRIBCHOHUBYDG-MKMNVTDBSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine?
The IUPAC name of (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine (CID 130324142) is (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine.
What is the SMILES notation for (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine?
The canonical SMILES for (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine is C=C(CC/C(=C\CC)N(C)C)C1=C(F)C=C(F)CC1.
What is the InChIKey of (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine?
The InChIKey is CDRIBCHOHUBYDG-MKMNVTDBSA-N. The full InChI is InChI=1S/C16H23F2N/c1-5-6-14(19(3)4)9-7-12(2)15-10-8-13(17)11-16(15)18/h6,11H,2,5,7-10H2,1,3-4H3/b14-6+.
What are the key properties of (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine?
(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine has a molecular weight of 267.36 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine is sourced from PubChem (CID 130324142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).