3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol

C10H20FNO — CID 126990293

IUPAC3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CCCCC(F)C1
InChIInChI=1S/C10H20FNO/c1-9(8-13)6-12-5-3-2-4-10(11)7-12/h9-10,13H,2-8H2,1H3
InChIKeySEMVJOOEGBTYPL-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds3

About 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol

3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol (PubChem CID 126990293) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol
PubChem CID126990293
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CCCCC(F)C1
InChIInChI=1S/C10H20FNO/c1-9(8-13)6-12-5-3-2-4-10(11)7-12/h9-10,13H,2-8H2,1H3
InChIKeySEMVJOOEGBTYPL-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol (CID 126990293) is 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol is CC(CO)CN1CCCCC(F)C1.
What is the InChIKey of 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol?
The InChIKey is SEMVJOOEGBTYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(8-13)6-12-5-3-2-4-10(11)7-12/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol?
3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazepan-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 126990293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).