1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol

C10H20FNO2 — CID 131182193

IUPAC1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol
SMILESCC1(C)CN(CC(O)CF)CCCO1
InChIInChI=1S/C10H20FNO2/c1-10(2)8-12(4-3-5-14-10)7-9(13)6-11/h9,13H,3-8H2,1-2H3
InChIKeyXMHDZQCHSKRWQU-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.82
Rot. Bonds3

About 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol

1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol (PubChem CID 131182193) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol
PubChem CID131182193
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol
SMILESCC1(C)CN(CC(O)CF)CCCO1
InChIInChI=1S/C10H20FNO2/c1-10(2)8-12(4-3-5-14-10)7-9(13)6-11/h9,13H,3-8H2,1-2H3
InChIKeyXMHDZQCHSKRWQU-UHFFFAOYSA-N
XLogP0.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol (CID 131182193) is 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol is CC1(C)CN(CC(O)CF)CCCO1.
What is the InChIKey of 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol?
The InChIKey is XMHDZQCHSKRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-10(2)8-12(4-3-5-14-10)7-9(13)6-11/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol?
1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol has a molecular weight of 205.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 131182193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).