1-(2-fluoroethyl)-4-methyl-1,4-diazepane

C8H17FN2 — CID 123186695

IUPAC1-(2-fluoroethyl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(CCF)CC1
InChIInChI=1S/C8H17FN2/c1-10-4-2-5-11(6-3-9)8-7-10/h2-8H2,1H3
InChIKeyTXKIXVRBBWEXNH-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.59
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methyl-1,4-diazepane

1-(2-fluoroethyl)-4-methyl-1,4-diazepane (PubChem CID 123186695) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-1,4-diazepane
PubChem CID123186695
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(2-fluoroethyl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(CCF)CC1
InChIInChI=1S/C8H17FN2/c1-10-4-2-5-11(6-3-9)8-7-10/h2-8H2,1H3
InChIKeyTXKIXVRBBWEXNH-UHFFFAOYSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylhomopiperazine
CID 251476
1-Ethyl-4-methyl-1,4-diazepane
CID 22165959
1,4-Bis(2-fluoroethyl)-6-methyl-1,4-diazepane
CID 57640213
6,6-Difluoro-1-methyl-4-propan-2-yl-1,4-diazepane
CID 58115761
1-Tert-butyl-4-(2-fluoroethyl)-1,4-diazepane
CID 58311670
1-Methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 67472787
6,6-Difluoro-1,4-dimethyl-1,4-diazepane
CID 68188973
1-Tert-butyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 68250446
1-Ethyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 68329093
1-Ethyl-6,6-difluoro-4-methyl-1,4-diazepane
CID 89176529
1-Ethyl-4-(2-fluoroethyl)-1,4-diazepane
CID 89256601
1-Fluoro-4-methyl-1,4-diazepane
CID 89356565

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-1,4-diazepane?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-1,4-diazepane (CID 123186695) is 1-(2-fluoroethyl)-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-1,4-diazepane?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-1,4-diazepane is CN1CCCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-1,4-diazepane?
The InChIKey is TXKIXVRBBWEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10-4-2-5-11(6-3-9)8-7-10/h2-8H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-1,4-diazepane?
1-(2-fluoroethyl)-4-methyl-1,4-diazepane has a molecular weight of 160.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-1,4-diazepane is sourced from PubChem (CID 123186695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).