2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine

C12H18FN — CID 142309143

IUPAC2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)C1=CCC(N(C)C)=C(F)C=C1
InChIInChI=1S/C12H18FN/c1-9(2)10-5-7-11(13)12(8-6-10)14(3)4/h5-7,9H,8H2,1-4H3
InChIKeyYZCDASRPUPNNAU-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.27
Rot. Bonds2

About 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine

2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine (PubChem CID 142309143) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine
PubChem CID142309143
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)C1=CCC(N(C)C)=C(F)C=C1
InChIInChI=1S/C12H18FN/c1-9(2)10-5-7-11(13)12(8-6-10)14(3)4/h5-7,9H,8H2,1-4H3
InChIKeyYZCDASRPUPNNAU-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine (CID 142309143) is 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine is CC(C)C1=CCC(N(C)C)=C(F)C=C1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is YZCDASRPUPNNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(2)10-5-7-11(13)12(8-6-10)14(3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 142309143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).