4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol

C7H7F9O — CID 15630255

IUPAC4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol
SMILESCC(C)(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-3(2,17)4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,1-2H3
InChIKeyMKVGGZUNYXLZFC-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.43
Rot. Bonds1

About 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol (PubChem CID 15630255) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol
PubChem CID15630255
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol
SMILESCC(C)(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-3(2,17)4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,1-2H3
InChIKeyMKVGGZUNYXLZFC-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol (CID 15630255) is 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol is CC(C)(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol?
The InChIKey is MKVGGZUNYXLZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-3(2,17)4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,1-2H3.
What are the key properties of 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol has a molecular weight of 278.11 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 15630255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).