[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol

C9H15F3O2 — CID 66023665

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
SMILESOCC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)7-14-5-1-2-8(6-13)3-4-8/h13H,1-7H2
InChIKeyABEMWDNFTUFQOI-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.12
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol

[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol (PubChem CID 66023665) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
PubChem CID66023665
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
SMILESOCC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)7-14-5-1-2-8(6-13)3-4-8/h13H,1-7H2
InChIKeyABEMWDNFTUFQOI-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol (CID 66023665) is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol is OCC1(CCCOCC(F)(F)F)CC1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol?
The InChIKey is ABEMWDNFTUFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c10-9(11,12)7-14-5-1-2-8(6-13)3-4-8/h13H,1-7H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol?
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol has a molecular weight of 212.21 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol is sourced from PubChem (CID 66023665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).