4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol

C10H19F3O2 — CID 62914061

IUPAC4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol
SMILESCC(C)C(CCOCC(F)(F)F)C(C)O
InChIInChI=1S/C10H19F3O2/c1-7(2)9(8(3)14)4-5-15-6-10(11,12)13/h7-9,14H,4-6H2,1-3H3
InChIKeyYFMBPRVHHKZOBI-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.61
Rot. Bonds6

About 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol

4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol (PubChem CID 62914061) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol
PubChem CID62914061
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol
SMILESCC(C)C(CCOCC(F)(F)F)C(C)O
InChIInChI=1S/C10H19F3O2/c1-7(2)9(8(3)14)4-5-15-6-10(11,12)13/h7-9,14H,4-6H2,1-3H3
InChIKeyYFMBPRVHHKZOBI-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.61
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-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol
CID 88869338
2,2-Difluoro-4,5-dimethylhexan-3-ol
CID 118600658
5,5,5-Trifluoro-4-methyl-4-(1,1,1-trifluoro-5-hydroxy-2-methylpentan-2-yl)oxypentan-1-ol
CID 139626659
(3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol
CID 143168335
ethane;(4S)-1,1,1-trifluoro-4-methylhexan-2-ol
CID 144292839
5,5-Difluoro-3-propan-2-ylhexan-2-ol
CID 145337895
2-Ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol
CID 146356273
4-(Methoxymethyl)-4-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
CID 149301608
(4S)-4-ethyl-1,1,1-trifluoro-5-methylhexan-2-ol
CID 156490227
(3R)-3-ethyl-1,1,1-trifluoro-4,5-dimethylhexan-2-ol
CID 156490232
3,3-Difluoro-2,5-dimethylhexane;2,5-dimethylhexan-3-ol;3-fluoro-2,5-dimethylhexane;3-methoxy-2,5-dimethylhexane;4-methyl-2-propan-2-ylpentan-1-ol;2,3,5-trimethylhexane
CID 161007073
4-(2,2,3,3-Tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol
CID 166846780

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol?
The IUPAC name of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol (CID 62914061) is 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol.
What is the SMILES notation for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol?
The canonical SMILES for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol is CC(C)C(CCOCC(F)(F)F)C(C)O.
What is the InChIKey of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol?
The InChIKey is YFMBPRVHHKZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-7(2)9(8(3)14)4-5-15-6-10(11,12)13/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol?
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol has a molecular weight of 228.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol is sourced from PubChem (CID 62914061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).