(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine

C14H28FNO — CID 165094055

IUPAC(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine
SMILESCC(C)(C)CCCC[C@@H]1CN(CCF)CCO1
InChIInChI=1S/C14H28FNO/c1-14(2,3)7-5-4-6-13-12-16(9-8-15)10-11-17-13/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyPLAXUGONYRVMAR-CYBMUJFWSA-N
MW245.38 g/mol
LogP3.26
Rot. Bonds6

About (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine

(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine (PubChem CID 165094055) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine
PubChem CID165094055
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine
SMILESCC(C)(C)CCCC[C@@H]1CN(CCF)CCO1
InChIInChI=1S/C14H28FNO/c1-14(2,3)7-5-4-6-13-12-16(9-8-15)10-11-17-13/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyPLAXUGONYRVMAR-CYBMUJFWSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-(2-methylpropyl)-6-[3-[1-(trifluoromethyl)cyclopropyl]butyl]morpholine
CID 156045489
4-(2,2-Difluoroethyl)-2-(4-methylpentyl)morpholine
CID 166800110
2-Tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine
CID 167076250
CID 173969305
CID 173969305
(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
CID 175612157
2-(1-Fluoroethoxymethyl)-1,6-di(propan-2-yl)piperidine
CID 175612377
(2S)-4-fluoro-1-methyl-4-octyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
CID 176610732
1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine
CID 176992311
4-(7,7-Dimethyloctyl)morpholine
CID 20587837
3,3-Dimethyl-1-(2-undecoxyethyl)piperidine
CID 22091456
2,4-Dimethyl-6-(1-methylcyclohexyl)morpholine
CID 68092244
2-Hexyl-4-methylmorpholine
CID 70417916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine?
The IUPAC name of (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine (CID 165094055) is (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine.
What is the SMILES notation for (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine?
The canonical SMILES for (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine is CC(C)(C)CCCC[C@@H]1CN(CCF)CCO1.
What is the InChIKey of (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine?
The InChIKey is PLAXUGONYRVMAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28FNO/c1-14(2,3)7-5-4-6-13-12-16(9-8-15)10-11-17-13/h13H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine?
(2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine has a molecular weight of 245.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,5-dimethylhexyl)-4-(2-fluoroethyl)morpholine is sourced from PubChem (CID 165094055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).