4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol

C10H15F5O3 — CID 23108397

IUPAC4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(C(F)(F)C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F5O3/c11-9(12,7(17)10(13,14)15)8(18)3-1-6(5-16)2-4-8/h6-7,16-18H,1-5H2
InChIKeyGWMLLHCKEXUUPD-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.46
Rot. Bonds3

About 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol

4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol (PubChem CID 23108397) has the molecular formula C10H15F5O3 and a molecular weight of 278.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol
PubChem CID23108397
Molecular FormulaC10H15F5O3
Molecular Weight278.22 g/mol
Exact Mass278.09
IUPAC Name4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(C(F)(F)C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F5O3/c11-9(12,7(17)10(13,14)15)8(18)3-1-6(5-16)2-4-8/h6-7,16-18H,1-5H2
InChIKeyGWMLLHCKEXUUPD-UHFFFAOYSA-N
XLogP1.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol (CID 23108397) is 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol is OCC1CCC(O)(C(F)(F)C(O)C(F)(F)F)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
The InChIKey is GWMLLHCKEXUUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O3/c11-9(12,7(17)10(13,14)15)8(18)3-1-6(5-16)2-4-8/h6-7,16-18H,1-5H2.
What are the key properties of 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol?
4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol has a molecular weight of 278.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 23108397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).