3-methoxypropyl 3,3,3-trifluoropropanoate

C7H11F3O3 — CID 88537757

IUPAC3-methoxypropyl 3,3,3-trifluoropropanoate
SMILESCOCCCOC(=O)CC(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-12-3-2-4-13-6(11)5-7(8,9)10/h2-5H2,1H3
InChIKeyONBGPLAAIZPJAV-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.52
Rot. Bonds5

About 3-methoxypropyl 3,3,3-trifluoropropanoate

3-methoxypropyl 3,3,3-trifluoropropanoate (PubChem CID 88537757) has the molecular formula C7H11F3O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is 3-methoxypropyl 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Name3-methoxypropyl 3,3,3-trifluoropropanoate
PubChem CID88537757
Molecular FormulaC7H11F3O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name3-methoxypropyl 3,3,3-trifluoropropanoate
SMILESCOCCCOC(=O)CC(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-12-3-2-4-13-6(11)5-7(8,9)10/h2-5H2,1H3
InChIKeyONBGPLAAIZPJAV-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3,3,3-trifluoropropanoate;3,3,3-trifluoropropanal
CID 144841967
3-methoxypropyl 3-oxopropanoate
CID 144975882
2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate
CID 87414433
bis(4-methoxybutyl) 3-methylpentanedioate
CID 101278770
3-methoxypropyl 3-methylpentanoate
CID 87360755
2-methoxyethyl 5-methoxypentanoate
CID 58454735
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789
1-O-[3-[(2R,3R)-4-[3-[(2R,3R)-2,3-dihydroxy-4-(3-methoxypropoxy)-4-oxobutanoyl]oxypropoxy]-2,3-dihydroxy-4-oxobutanoyl]oxypropyl] 4-O-(3-methoxypropyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101011423
3-methoxypropyl 2-(propan-2-ylamino)acetate
CID 61277386
2-methoxyethyl 3-ethyl-3-methylpentanoate
CID 142740041
2-methoxyethyl 4,4,4-trifluoro-3-oxobutanoate
CID 139223532
bis(4-methoxybutyl) 2-hydroxybutanedioate
CID 139707067

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3,3,3-trifluoropropanoate?
The IUPAC name of 3-methoxypropyl 3,3,3-trifluoropropanoate (CID 88537757) is 3-methoxypropyl 3,3,3-trifluoropropanoate.
What is the SMILES notation for 3-methoxypropyl 3,3,3-trifluoropropanoate?
The canonical SMILES for 3-methoxypropyl 3,3,3-trifluoropropanoate is COCCCOC(=O)CC(F)(F)F.
What is the InChIKey of 3-methoxypropyl 3,3,3-trifluoropropanoate?
The InChIKey is ONBGPLAAIZPJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3/c1-12-3-2-4-13-6(11)5-7(8,9)10/h2-5H2,1H3.
What are the key properties of 3-methoxypropyl 3,3,3-trifluoropropanoate?
3-methoxypropyl 3,3,3-trifluoropropanoate has a molecular weight of 200.16 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 3,3,3-trifluoropropanoate is sourced from PubChem (CID 88537757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).