2-fluoro-1-methoxy-3-propoxypropane

C7H15FO2 — CID 177367815

IUPAC2-fluoro-1-methoxy-3-propoxypropane
SMILESCCCOCC(F)COC
InChIInChI=1S/C7H15FO2/c1-3-4-10-6-7(8)5-9-2/h7H,3-6H2,1-2H3
InChIKeyKYMDIXMDVHIXIS-UHFFFAOYSA-N
MW150.19 g/mol
LogP1.40
Rot. Bonds6

About 2-fluoro-1-methoxy-3-propoxypropane

2-fluoro-1-methoxy-3-propoxypropane (PubChem CID 177367815) has the molecular formula C7H15FO2 and a molecular weight of 150.19 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-propoxypropane.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-propoxypropane
PubChem CID177367815
Molecular FormulaC7H15FO2
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name2-fluoro-1-methoxy-3-propoxypropane
SMILESCCCOCC(F)COC
InChIInChI=1S/C7H15FO2/c1-3-4-10-6-7(8)5-9-2/h7H,3-6H2,1-2H3
InChIKeyKYMDIXMDVHIXIS-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 51.40
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

(2S)-2-fluoro-1-methoxybutane
CID 149174257
N-ethyl-1,1-difluoro-3-propoxypropan-2-amine
CID 103759797
(1,1-difluoro-3-propoxypropan-2-yl)hydrazine
CID 105264981
3-butoxy-2-fluoropropan-1-amine
CID 155690317
CID 59269514
CID 59269514
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
ethane;2-fluoro-1-methoxy-4-methylpentane
CID 170593191
fluoromethane;1-methoxypropane
CID 54348192
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-propoxypropane?
The IUPAC name of 2-fluoro-1-methoxy-3-propoxypropane (CID 177367815) is 2-fluoro-1-methoxy-3-propoxypropane.
What is the SMILES notation for 2-fluoro-1-methoxy-3-propoxypropane?
The canonical SMILES for 2-fluoro-1-methoxy-3-propoxypropane is CCCOCC(F)COC.
What is the InChIKey of 2-fluoro-1-methoxy-3-propoxypropane?
The InChIKey is KYMDIXMDVHIXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2/c1-3-4-10-6-7(8)5-9-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-3-propoxypropane?
2-fluoro-1-methoxy-3-propoxypropane has a molecular weight of 150.19 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-propoxypropane is sourced from PubChem (CID 177367815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).