3-fluoro-4-propan-2-yloxyazepane

C9H18FNO — CID 58303693

IUPAC3-fluoro-4-propan-2-yloxyazepane
SMILESCC(C)OC1CCCNCC1F
InChIInChI=1S/C9H18FNO/c1-7(2)12-9-4-3-5-11-6-8(9)10/h7-9,11H,3-6H2,1-2H3
InChIKeyUXRVQCKJYRWZNZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds2

About 3-fluoro-4-propan-2-yloxyazepane

3-fluoro-4-propan-2-yloxyazepane (PubChem CID 58303693) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yloxyazepane.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yloxyazepane
PubChem CID58303693
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-4-propan-2-yloxyazepane
SMILESCC(C)OC1CCCNCC1F
InChIInChI=1S/C9H18FNO/c1-7(2)12-9-4-3-5-11-6-8(9)10/h7-9,11H,3-6H2,1-2H3
InChIKeyUXRVQCKJYRWZNZ-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxyazepane hydrochloride
CID 74889941
4-(Difluoromethoxy)azepane
CID 168435493
4-Methoxyazepane
CID 19600383
4-Propoxyazepane
CID 50987934
4-Fluoro-1-methyl-4-propan-2-yloxyazepane
CID 58303735
4-Fluoro-5-propan-2-yloxyazepane
CID 58303778
3-Fluoro-4-methoxyazepane
CID 68321459
4-Ethoxy-3-fluoroazepane
CID 89100815
4-Ethoxy-5-fluoroazepane
CID 89840446
4-Fluoro-5-methoxyazepane
CID 89888251
5-Butoxy-3-fluoroazepane
CID 118248055
4,4-Difluoro-5-methoxyazepane
CID 124197765

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yloxyazepane?
The IUPAC name of 3-fluoro-4-propan-2-yloxyazepane (CID 58303693) is 3-fluoro-4-propan-2-yloxyazepane.
What is the SMILES notation for 3-fluoro-4-propan-2-yloxyazepane?
The canonical SMILES for 3-fluoro-4-propan-2-yloxyazepane is CC(C)OC1CCCNCC1F.
What is the InChIKey of 3-fluoro-4-propan-2-yloxyazepane?
The InChIKey is UXRVQCKJYRWZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)12-9-4-3-5-11-6-8(9)10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-4-propan-2-yloxyazepane?
3-fluoro-4-propan-2-yloxyazepane has a molecular weight of 175.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yloxyazepane is sourced from PubChem (CID 58303693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).