4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol

C4H3ClF6O — CID 142726898

IUPAC4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)CCl
InChIInChI=1S/C4H3ClF6O/c5-1-2(6,7)3(8,9)4(10,11)12/h12H,1H2
InChIKeyJTPABXRVHVQDOT-UHFFFAOYSA-N
MW216.51 g/mol
LogP2.08
Rot. Bonds3

About 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol

4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol (PubChem CID 142726898) has the molecular formula C4H3ClF6O and a molecular weight of 216.51 g/mol. Its IUPAC name is 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol.

Molecular Properties

Compound Name4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol
PubChem CID142726898
Molecular FormulaC4H3ClF6O
Molecular Weight216.51 g/mol
Exact Mass215.98
IUPAC Name4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)CCl
InChIInChI=1S/C4H3ClF6O/c5-1-2(6,7)3(8,9)4(10,11)12/h12H,1H2
InChIKeyJTPABXRVHVQDOT-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-octafluorobutane-1,4-diol;dihydrofluoride
CID 135382270
9-chloro-1-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononyl)peroxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
CID 54564241
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862
1,1,2-trichloroethanol
CID 14671512
1,1,2-trichloroethanol
CID 176909401
(4-chloro-1,1,2,2,3,3-hexafluorobutyl) 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexaneperoxoate
CID 87704915
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
2,3-dichloro-2-fluoropropan-1-ol
CID 55300893
1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
1,1,2,2,3,3,4,4-octafluoro-6-isocyanatohexan-1-ol
CID 88879564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol?
The IUPAC name of 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol (CID 142726898) is 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol.
What is the SMILES notation for 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol?
The canonical SMILES for 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol is OC(F)(F)C(F)(F)C(F)(F)CCl.
What is the InChIKey of 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol?
The InChIKey is JTPABXRVHVQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF6O/c5-1-2(6,7)3(8,9)4(10,11)12/h12H,1H2.
What are the key properties of 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol?
4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol has a molecular weight of 216.51 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,1,2,2,3,3-hexafluorobutan-1-ol is sourced from PubChem (CID 142726898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).