4-fluoro-1-methyl-4-propan-2-yloxyazepane

C10H20FNO — CID 58303735

IUPAC4-fluoro-1-methyl-4-propan-2-yloxyazepane
SMILESCC(C)OC1(F)CCCN(C)CC1
InChIInChI=1S/C10H20FNO/c1-9(2)13-10(11)5-4-7-12(3)8-6-10/h9H,4-8H2,1-3H3
InChIKeyLIQMQMBRGKINQV-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.19
Rot. Bonds2

About 4-fluoro-1-methyl-4-propan-2-yloxyazepane

4-fluoro-1-methyl-4-propan-2-yloxyazepane (PubChem CID 58303735) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-propan-2-yloxyazepane.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-propan-2-yloxyazepane
PubChem CID58303735
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-fluoro-1-methyl-4-propan-2-yloxyazepane
SMILESCC(C)OC1(F)CCCN(C)CC1
InChIInChI=1S/C10H20FNO/c1-9(2)13-10(11)5-4-7-12(3)8-6-10/h9H,4-8H2,1-3H3
InChIKeyLIQMQMBRGKINQV-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-propan-2-yloxyazepane?
The IUPAC name of 4-fluoro-1-methyl-4-propan-2-yloxyazepane (CID 58303735) is 4-fluoro-1-methyl-4-propan-2-yloxyazepane.
What is the SMILES notation for 4-fluoro-1-methyl-4-propan-2-yloxyazepane?
The canonical SMILES for 4-fluoro-1-methyl-4-propan-2-yloxyazepane is CC(C)OC1(F)CCCN(C)CC1.
What is the InChIKey of 4-fluoro-1-methyl-4-propan-2-yloxyazepane?
The InChIKey is LIQMQMBRGKINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2)13-10(11)5-4-7-12(3)8-6-10/h9H,4-8H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-4-propan-2-yloxyazepane?
4-fluoro-1-methyl-4-propan-2-yloxyazepane has a molecular weight of 189.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-propan-2-yloxyazepane is sourced from PubChem (CID 58303735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).