(2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol

C10H17F5O — CID 154717484

IUPAC(2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol
SMILESCCCCCC[C@@H](CO)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O/c1-2-3-4-5-6-8(7-16)9(11,12)10(13,14)15/h8,16H,2-7H2,1H3/t8-/m0/s1
InChIKeyGNBNCRLNWRYXHJ-QMMMGPOBSA-N
MW248.23 g/mol
LogP3.76
Rot. Bonds7

About (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol

(2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol (PubChem CID 154717484) has the molecular formula C10H17F5O and a molecular weight of 248.23 g/mol. Its IUPAC name is (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol
PubChem CID154717484
Molecular FormulaC10H17F5O
Molecular Weight248.23 g/mol
Exact Mass248.12
IUPAC Name(2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol
SMILESCCCCCC[C@@H](CO)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O/c1-2-3-4-5-6-8(7-16)9(11,12)10(13,14)15/h8,16H,2-7H2,1H3/t8-/m0/s1
InChIKeyGNBNCRLNWRYXHJ-QMMMGPOBSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,7-Dimethyl-1-octanol
CID 7792
2-Butyl-1-octanol
CID 19800
2-Propyl-1-heptanol
CID 24847
2-Cyclododecylpropan-1-ol
CID 9815980
2-Hexyl-1-octanol
CID 545551
1-Decanol, 2-ethyl-
CID 545566
1-Octanol, 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-
CID 2776097
3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776232
3,7,11-Trimethyl-1-dodecanol
CID 138824
6-Methyloctan-1-ol
CID 520908
4,8-Dimethylnonan-1-ol
CID 549996
(S)-3,7-Dimethyloctan-1-ol
CID 6992239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol?
The IUPAC name of (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol (CID 154717484) is (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol.
What is the SMILES notation for (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol?
The canonical SMILES for (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol is CCCCCC[C@@H](CO)C(F)(F)C(F)(F)F.
What is the InChIKey of (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol?
The InChIKey is GNBNCRLNWRYXHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F5O/c1-2-3-4-5-6-8(7-16)9(11,12)10(13,14)15/h8,16H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol?
(2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol has a molecular weight of 248.23 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol is sourced from PubChem (CID 154717484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).