6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane

C16H29F2NO — CID 163634827

IUPAC6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane
SMILESCCC1OCN(C2CCC(F)CC2)CC1CCCCF
InChIInChI=1S/C16H29F2NO/c1-2-16-13(5-3-4-10-17)11-19(12-20-16)15-8-6-14(18)7-9-15/h13-16H,2-12H2,1H3
InChIKeyHZEPGEKILPNFHY-UHFFFAOYSA-N
MW289.41 g/mol
LogP4.09
Rot. Bonds6

About 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane

6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane (PubChem CID 163634827) has the molecular formula C16H29F2NO and a molecular weight of 289.41 g/mol. Its IUPAC name is 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane.

Molecular Properties

Compound Name6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane
PubChem CID163634827
Molecular FormulaC16H29F2NO
Molecular Weight289.41 g/mol
Exact Mass289.22
IUPAC Name6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane
SMILESCCC1OCN(C2CCC(F)CC2)CC1CCCCF
InChIInChI=1S/C16H29F2NO/c1-2-16-13(5-3-4-10-17)11-19(12-20-16)15-8-6-14(18)7-9-15/h13-16H,2-12H2,1H3
InChIKeyHZEPGEKILPNFHY-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-Fluoro-6-methoxycyclohexyl)methyl]piperidine
CID 123341011
1-[1,1,1,3,3-Pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 130427268
1-[1,1,1,3,3-Pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-4-(trifluoromethyl)piperidine
CID 130427276
6-Ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane
CID 163561453
Ethane;4-[4-(4-methoxycyclohexyl)butyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 170569490
4-[4-(4-Methoxycyclohexyl)butyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 170569491
Ethane;1-[3-(4-methoxycyclohexyl)propyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine
CID 170569524
(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine
CID 175626780
(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 175626785
(2S)-4-[4-(4-methoxycyclohexyl)butyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 175626794
1-[4-(4-Methoxycyclohexyl)butyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine
CID 175626819
1-[4-(4-Methoxycyclohexyl)butyl]-4-methyl-2-(trifluoromethyl)piperazine
CID 175626820

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane?
The IUPAC name of 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane (CID 163634827) is 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane.
What is the SMILES notation for 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane?
The canonical SMILES for 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane is CCC1OCN(C2CCC(F)CC2)CC1CCCCF.
What is the InChIKey of 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane?
The InChIKey is HZEPGEKILPNFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO/c1-2-16-13(5-3-4-10-17)11-19(12-20-16)15-8-6-14(18)7-9-15/h13-16H,2-12H2,1H3.
What are the key properties of 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane?
6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane has a molecular weight of 289.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-fluorobutyl)-3-(4-fluorocyclohexyl)-1,3-oxazinane is sourced from PubChem (CID 163634827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).