3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine

C11H18FN — CID 173114405

IUPAC3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1=CC(F)=CCC1
InChIInChI=1S/C11H18FN/c1-13(2)8-4-6-10-5-3-7-11(12)9-10/h7,9H,3-6,8H2,1-2H3
InChIKeyUGBCXXVHBOFCBP-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.90
Rot. Bonds4

About 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine

3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 173114405) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID173114405
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1=CC(F)=CCC1
InChIInChI=1S/C11H18FN/c1-13(2)8-4-6-10-5-3-7-11(12)9-10/h7,9H,3-6,8H2,1-2H3
InChIKeyUGBCXXVHBOFCBP-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine (CID 173114405) is 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCC1=CC(F)=CCC1.
What is the InChIKey of 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is UGBCXXVHBOFCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-13(2)8-4-6-10-5-3-7-11(12)9-10/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine?
3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 173114405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).