1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol

C8H7F11O — CID 162347256

IUPAC1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol
SMILESCCC(F)C(F)(C(F)(F)F)C(F)(F)C(O)(F)C(F)(F)F
InChIInChI=1S/C8H7F11O/c1-2-3(9)4(10,7(14,15)16)5(11,12)6(13,20)8(17,18)19/h3,20H,2H2,1H3
InChIKeyCLBOQTCXMFKGOW-UHFFFAOYSA-N
MW328.12 g/mol
LogP3.86
Rot. Bonds4

About 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol

1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol (PubChem CID 162347256) has the molecular formula C8H7F11O and a molecular weight of 328.12 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol
PubChem CID162347256
Molecular FormulaC8H7F11O
Molecular Weight328.12 g/mol
Exact Mass328.03
IUPAC Name1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol
SMILESCCC(F)C(F)(C(F)(F)F)C(F)(F)C(O)(F)C(F)(F)F
InChIInChI=1S/C8H7F11O/c1-2-3(9)4(10,7(14,15)16)5(11,12)6(13,20)8(17,18)19/h3,20H,2H2,1H3
InChIKeyCLBOQTCXMFKGOW-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol with MolForge

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Related Compounds

1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
CID 19359359
3,4,4-trifluoroheptane;hydrofluoride
CID 90932672
1,1,1,2,3,3,4-heptafluorodecan-2-ol
CID 139615340
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-hentetracontafluoroicosan-2-ol
CID 139882663
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecan-2-ol
CID 141075159
1,1,2-trifluorobutan-1-amine;hydroiodide
CID 138607345
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
1,2-difluoroheptane-1,1-diol
CID 151949145
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
1,2,2,3,3,4-hexafluoroheptane-1,1-diol
CID 141036292
azane;1,1,2-trifluorobutane-1-sulfonic acid
CID 173170473
4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 89360060

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol?
The IUPAC name of 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol (CID 162347256) is 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol?
The canonical SMILES for 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol is CCC(F)C(F)(C(F)(F)F)C(F)(F)C(O)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol?
The InChIKey is CLBOQTCXMFKGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11O/c1-2-3(9)4(10,7(14,15)16)5(11,12)6(13,20)8(17,18)19/h3,20H,2H2,1H3.
What are the key properties of 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol?
1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol has a molecular weight of 328.12 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,5-octafluoro-4-(trifluoromethyl)heptan-2-ol is sourced from PubChem (CID 162347256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).