3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one

C11H18FNO — CID 118018351

IUPAC3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one
SMILESCN(C)CCC(=O)C1=CC[C@H](F)CC1
InChIInChI=1S/C11H18FNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3,10H,4-8H2,1-2H3/t10-/m0/s1
InChIKeyYWNBIEVMRZCUDV-JTQLQIEISA-N
MW199.27 g/mol
LogP1.96
Rot. Bonds4

About 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one

3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one (PubChem CID 118018351) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one
PubChem CID118018351
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one
SMILESCN(C)CCC(=O)C1=CC[C@H](F)CC1
InChIInChI=1S/C11H18FNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3,10H,4-8H2,1-2H3/t10-/m0/s1
InChIKeyYWNBIEVMRZCUDV-JTQLQIEISA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one (CID 118018351) is 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one is CN(C)CCC(=O)C1=CC[C@H](F)CC1.
What is the InChIKey of 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one?
The InChIKey is YWNBIEVMRZCUDV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18FNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3,10H,4-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one?
3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one has a molecular weight of 199.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[(4R)-4-fluorocyclohexen-1-yl]propan-1-one is sourced from PubChem (CID 118018351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).