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

C7H2F14O — CID 18769263

IUPAC1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol
SMILESOC(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21/h1,22H
InChIKeyOHMNIGKXMIWFCR-UHFFFAOYSA-N
MW368.06 g/mol
LogP4.01
Rot. Bonds2

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

1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol (PubChem CID 18769263) has the molecular formula C7H2F14O and a molecular weight of 368.06 g/mol. Its IUPAC name is 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol
PubChem CID18769263
Molecular FormulaC7H2F14O
Molecular Weight368.06 g/mol
Exact Mass367.99
IUPAC Name1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol
SMILESOC(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21/h1,22H
InChIKeyOHMNIGKXMIWFCR-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.06
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol?
The IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol (CID 18769263) is 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol.
What is the SMILES notation for 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol?
The canonical SMILES for 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol is OC(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol?
The InChIKey is OHMNIGKXMIWFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21/h1,22H.
What are the key properties of 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol?
1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol has a molecular weight of 368.06 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-ol is sourced from PubChem (CID 18769263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).