6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane

C10H18F3NO — CID 162558732

IUPAC6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane
SMILESCC1COC(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-4-8(3)6-15-9(5-14)10(11,12)13/h7-9H,4-6H2,1-3H3
InChIKeySBDPXSGHJXSNSA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.29
Rot. Bonds1

About 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane

6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane (PubChem CID 162558732) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane.

Molecular Properties

Compound Name6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane
PubChem CID162558732
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane
SMILESCC1COC(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-4-8(3)6-15-9(5-14)10(11,12)13/h7-9H,4-6H2,1-3H3
InChIKeySBDPXSGHJXSNSA-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine
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1-propan-2-yl-3-propan-2-yloxyazetidine
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane?
The IUPAC name of 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane (CID 162558732) is 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane.
What is the SMILES notation for 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane?
The canonical SMILES for 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane is CC1COC(C(F)(F)F)CN(C(C)C)C1.
What is the InChIKey of 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane?
The InChIKey is SBDPXSGHJXSNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)14-4-8(3)6-15-9(5-14)10(11,12)13/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane?
6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane has a molecular weight of 225.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane is sourced from PubChem (CID 162558732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).