4-(2,2,2-trifluoroethoxy)butan-1-ol

C6H11F3O2 — CID 62605771

IUPAC4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESOCCCCOCC(F)(F)F
InChIInChI=1S/C6H11F3O2/c7-6(8,9)5-11-4-2-1-3-10/h10H,1-5H2
InChIKeyPXQARTDFOFLIKG-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.34
Rot. Bonds5

About 4-(2,2,2-trifluoroethoxy)butan-1-ol

4-(2,2,2-trifluoroethoxy)butan-1-ol (PubChem CID 62605771) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)butan-1-ol
PubChem CID62605771
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESOCCCCOCC(F)(F)F
InChIInChI=1S/C6H11F3O2/c7-6(8,9)5-11-4-2-1-3-10/h10H,1-5H2
InChIKeyPXQARTDFOFLIKG-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.34
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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Related Compounds

2,2,3,3-Tetrafluoro-1,4-butanediol
CID 136270
2,2-Difluorobutane-1,4-diol
CID 13935577
3-(2,2,2-Trifluoroethoxy)propan-1-ol
CID 54592522
Tetrafluoro1,4-butanediol
CID 22218867
1,1,2-Trifluorobutane-1,4-diol
CID 88693466
2,2-Difluoro-4-methoxybutan-1-ol
CID 165639515
(2S,3R)-2,3-difluorobutane-1,4-diol
CID 91311626
(2R,3R)-2,3-difluorobutane-1,4-diol
CID 178342656
6,6,7,8,8,8-Hexafluoro-5-oxaoctan-1-ol
CID 10879226
2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol
CID 17897660
2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)butan-1-ol
CID 17897672
4-Butoxy-2,3-difluorobutan-1-ol
CID 18965840

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)butan-1-ol?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)butan-1-ol (CID 62605771) is 4-(2,2,2-trifluoroethoxy)butan-1-ol.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)butan-1-ol?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)butan-1-ol is OCCCCOCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)butan-1-ol?
The InChIKey is PXQARTDFOFLIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c7-6(8,9)5-11-4-2-1-3-10/h10H,1-5H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)butan-1-ol?
4-(2,2,2-trifluoroethoxy)butan-1-ol has a molecular weight of 172.15 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)butan-1-ol is sourced from PubChem (CID 62605771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).