[1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol

C7H15FNOP — CID 172596613

IUPAC[1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol
SMILESCN(C)CC1(CO)CC1(F)P
InChIInChI=1S/C7H15FNOP/c1-9(2)4-6(5-10)3-7(6,8)11/h10H,3-5,11H2,1-2H3
InChIKeySXFFWGJIQKUYAJ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.47
Rot. Bonds3

About [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol

[1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol (PubChem CID 172596613) has the molecular formula C7H15FNOP and a molecular weight of 179.17 g/mol. Its IUPAC name is [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol
PubChem CID172596613
Molecular FormulaC7H15FNOP
Molecular Weight179.17 g/mol
Exact Mass179.09
IUPAC Name[1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol
SMILESCN(C)CC1(CO)CC1(F)P
InChIInChI=1S/C7H15FNOP/c1-9(2)4-6(5-10)3-7(6,8)11/h10H,3-5,11H2,1-2H3
InChIKeySXFFWGJIQKUYAJ-UHFFFAOYSA-N
XLogP0.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol?
The IUPAC name of [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol (CID 172596613) is [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol.
What is the SMILES notation for [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol?
The canonical SMILES for [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol is CN(C)CC1(CO)CC1(F)P.
What is the InChIKey of [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol?
The InChIKey is SXFFWGJIQKUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FNOP/c1-9(2)4-6(5-10)3-7(6,8)11/h10H,3-5,11H2,1-2H3.
What are the key properties of [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol?
[1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol has a molecular weight of 179.17 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol is sourced from PubChem (CID 172596613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).