1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol

C12H16FNO — CID 117117535

IUPAC1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol
SMILESCN(C)c1cc(CC2(O)CC2)ccc1F
InChIInChI=1S/C12H16FNO/c1-14(2)11-7-9(3-4-10(11)13)8-12(15)5-6-12/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyGMOPGOKTXBIXKL-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.96
Rot. Bonds3

About 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol

1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol (PubChem CID 117117535) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol
PubChem CID117117535
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol
SMILESCN(C)c1cc(CC2(O)CC2)ccc1F
InChIInChI=1S/C12H16FNO/c1-14(2)11-7-9(3-4-10(11)13)8-12(15)5-6-12/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyGMOPGOKTXBIXKL-UHFFFAOYSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol (CID 117117535) is 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol is CN(C)c1cc(CC2(O)CC2)ccc1F.
What is the InChIKey of 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol?
The InChIKey is GMOPGOKTXBIXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14(2)11-7-9(3-4-10(11)13)8-12(15)5-6-12/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol?
1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117117535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).