1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine

C9H13F2N — CID 130243433

IUPAC1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CCCC(F)=C1F
InChIInChI=1S/C9H13F2N/c1-12(2)6-7-4-3-5-8(10)9(7)11/h4H,3,5-6H2,1-2H3
InChIKeyNGTLDYZZIBQXFF-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.42
Rot. Bonds2

About 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine

1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 130243433) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID130243433
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CCCC(F)=C1F
InChIInChI=1S/C9H13F2N/c1-12(2)6-7-4-3-5-8(10)9(7)11/h4H,3,5-6H2,1-2H3
InChIKeyNGTLDYZZIBQXFF-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine (CID 130243433) is 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine is CN(C)CC1=CCCC(F)=C1F.
What is the InChIKey of 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is NGTLDYZZIBQXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-12(2)6-7-4-3-5-8(10)9(7)11/h4H,3,5-6H2,1-2H3.
What are the key properties of 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 173.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 130243433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).