5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane

C14H28FNO — CID 175612309

IUPAC5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane
SMILESCC(F)OC1CCC(C(C)C)N(C(C)C)CC1
InChIInChI=1S/C14H28FNO/c1-10(2)14-7-6-13(17-12(5)15)8-9-16(14)11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyXFRWTAWGXNPEPA-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.61
Rot. Bonds4

About 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane

5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane (PubChem CID 175612309) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane.

Molecular Properties

Compound Name5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane
PubChem CID175612309
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane
SMILESCC(F)OC1CCC(C(C)C)N(C(C)C)CC1
InChIInChI=1S/C14H28FNO/c1-10(2)14-7-6-13(17-12(5)15)8-9-16(14)11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyXFRWTAWGXNPEPA-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane 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

1,2,5-tri(propan-2-yl)azepane
CID 176801550
4-methoxy-1,2-di(propan-2-yl)piperidine
CID 175613620
4-(1-fluoroethoxy)cyclohexane-1-thiol
CID 144829764
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
CID 152916334
1,2-di(propan-2-yl)azocane
CID 134605032
4-methyl-1,2-di(propan-2-yl)piperidine
CID 141078246
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
(2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine
CID 59610611
(2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate
CID 69289345
1,2,5-tri(propan-2-yl)pyrrolidine
CID 58779096

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane?
The IUPAC name of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane (CID 175612309) is 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane.
What is the SMILES notation for 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane?
The canonical SMILES for 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane is CC(F)OC1CCC(C(C)C)N(C(C)C)CC1.
What is the InChIKey of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane?
The InChIKey is XFRWTAWGXNPEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-10(2)14-7-6-13(17-12(5)15)8-9-16(14)11(3)4/h10-14H,6-9H2,1-5H3.
What are the key properties of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane?
5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane has a molecular weight of 245.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)azepane is sourced from PubChem (CID 175612309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).