1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol

C6H11F3O2 — CID 115625020

IUPAC1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol
SMILESCOCC(C)C(O)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-4(3-11-2)5(10)6(7,8)9/h4-5,10H,3H2,1-2H3
InChIKeyUAXLKZGMVLDHSN-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.19
Rot. Bonds3

About 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol

1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol (PubChem CID 115625020) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol
PubChem CID115625020
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol
SMILESCOCC(C)C(O)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-4(3-11-2)5(10)6(7,8)9/h4-5,10H,3H2,1-2H3
InChIKeyUAXLKZGMVLDHSN-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-hydroxy-5-methoxy-4-methylpentanoic acid
CID 116503142
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392
1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
CID 88537567
1-methoxypropan-2-ol chloride
CID 23303898
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
2-hydroxy-4-methoxy-3-methylbutanenitrile
CID 116502277
1-methoxy-3-(trifluoromethyl)but-3-en-2-ol
CID 130564685
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
(3S)-3-iodo-1-methoxy-2-methylbutane
CID 88880583

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol (CID 115625020) is 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol is COCC(C)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol?
The InChIKey is UAXLKZGMVLDHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c1-4(3-11-2)5(10)6(7,8)9/h4-5,10H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol?
1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol has a molecular weight of 172.15 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 115625020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).