1,1,1,2,3,3,3-heptafluoropropan-2-ol

C3HF7O — CID 12661110

IUPAC1,1,1,2,3,3,3-heptafluoropropan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O/c4-1(11,2(5,6)7)3(8,9)10/h11H
InChIKeyQVXZSAWOXGFNIK-UHFFFAOYSA-N
MW186.03 g/mol
LogP1.77
Rot. Bonds

About 1,1,1,2,3,3,3-heptafluoropropan-2-ol

1,1,1,2,3,3,3-heptafluoropropan-2-ol (PubChem CID 12661110) has the molecular formula C3HF7O and a molecular weight of 186.03 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropan-2-ol
PubChem CID12661110
Molecular FormulaC3HF7O
Molecular Weight186.03 g/mol
Exact Mass185.99
IUPAC Name1,1,1,2,3,3,3-heptafluoropropan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O/c4-1(11,2(5,6)7)3(8,9)10/h11H
InChIKeyQVXZSAWOXGFNIK-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,1,3,3,3-Pentafluoro-1-propen-2-ol
CID 11105516
1,1,1,2,3,3-Hexafluoro-2-propanol
CID 13350568
Pentafluoro isopropanol
CID 21645339
1,2,2,2-Tetrafluoro-1-(trifluoromethyl)ethyl hypofluorite
CID 10130432
1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-ol
CID 22446655
(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol
CID 26343944
1,1,1,3,3,3-Hexafluoropropan-2-ol;tungsten
CID 59733552
1,1,2,2,3,3,3-Heptafluoropropan-1-ol;rutherfordium
CID 59876880
(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl) hypofluorite
CID 88543467

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-ol?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-ol (CID 12661110) is 1,1,1,2,3,3,3-heptafluoropropan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropan-2-ol?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropan-2-ol is OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoropropan-2-ol?
The InChIKey is QVXZSAWOXGFNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O/c4-1(11,2(5,6)7)3(8,9)10/h11H.
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropan-2-ol?
1,1,1,2,3,3,3-heptafluoropropan-2-ol has a molecular weight of 186.03 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropan-2-ol is sourced from PubChem (CID 12661110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).