5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine

C15H26F2N2 — CID 139541178

IUPAC5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine
SMILESCCC(F)(F)C1=CC(N)=C(C(C)(C)CN(C)C)CC1
InChIInChI=1S/C15H26F2N2/c1-6-15(16,17)11-7-8-12(13(18)9-11)14(2,3)10-19(4)5/h9H,6-8,10,18H2,1-5H3
InChIKeyXBVVIDLMOLXODF-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.55
Rot. Bonds5

About 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine

5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine (PubChem CID 139541178) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine
PubChem CID139541178
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine
SMILESCCC(F)(F)C1=CC(N)=C(C(C)(C)CN(C)C)CC1
InChIInChI=1S/C15H26F2N2/c1-6-15(16,17)11-7-8-12(13(18)9-11)14(2,3)10-19(4)5/h9H,6-8,10,18H2,1-5H3
InChIKeyXBVVIDLMOLXODF-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine (CID 139541178) is 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine is CCC(F)(F)C1=CC(N)=C(C(C)(C)CN(C)C)CC1.
What is the InChIKey of 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine?
The InChIKey is XBVVIDLMOLXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2/c1-6-15(16,17)11-7-8-12(13(18)9-11)14(2,3)10-19(4)5/h9H,6-8,10,18H2,1-5H3.
What are the key properties of 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine?
5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine has a molecular weight of 272.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-2-[1-(dimethylamino)-2-methylpropan-2-yl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 139541178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).