1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol

C6H7F7O — CID 18943158

IUPAC1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol
SMILESCC(O)(C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-3(7,5(8,9)10)4(2,14)6(11,12)13/h14H,1-2H3
InChIKeyVNIIJBXUNSBARD-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.59
Rot. Bonds1

About 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol

1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol (PubChem CID 18943158) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol
PubChem CID18943158
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol
SMILESCC(O)(C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-3(7,5(8,9)10)4(2,14)6(11,12)13/h14H,1-2H3
InChIKeyVNIIJBXUNSBARD-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-3,3,4,4-tetrafluoro-2-butanol
CID 34628
1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-ol
CID 73936
3,3,4,4,5,5,5-Heptafluoro-2-methylpentan-2-ol
CID 540479
3,3-Difluoro-2-methylbutan-2-ol
CID 86683229
Ethylbistrifluoromethylmethanol
CID 18544797
3,3,4,4,4-Pentafluoro-2-methylbutan-2-ol
CID 19022260
4,4,4-Trifluoro-2,3,3-trimethylbutan-2-ol
CID 154517395
1,1,1,4,4,4-Hexafluoro-2,3-dimethylbutane-2,3-diol
CID 299569
1,1,1,4,4,4-Hexafluoro-2-(trifluoromethyl)butan-2-ol
CID 10037717
3,4,4,4-Tetrafluoro-2,3-dimethylbutan-2-ol
CID 88557567
(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxidanium
CID 23233493
1,1,3,3-Tetrafluoro-2-methylpropan-2-ol
CID 238392

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol?
The IUPAC name of 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol (CID 18943158) is 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol is CC(O)(C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol?
The InChIKey is VNIIJBXUNSBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-3(7,5(8,9)10)4(2,14)6(11,12)13/h14H,1-2H3.
What are the key properties of 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol?
1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol has a molecular weight of 228.11 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,4-heptafluoro-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 18943158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).