(2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol

C16H31F3O2 — CID 163724748

IUPAC(2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol
SMILESCCCC(C[C@@H](C)C(O)C[C@@](C)(O)C(F)(F)F)[C@H](C)CC
InChIInChI=1S/C16H31F3O2/c1-6-8-13(11(3)7-2)9-12(4)14(20)10-15(5,21)16(17,18)19/h11-14,20-21H,6-10H2,1-5H3/t11-,12-,13?,14?,15-/m1/s1
InChIKeyKUPQQLVBKHGZQX-WMUDQEJXSA-N
MW312.42 g/mol
LogP4.54
Rot. Bonds9

About (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol

(2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol (PubChem CID 163724748) has the molecular formula C16H31F3O2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol.

Molecular Properties

Compound Name(2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol
PubChem CID163724748
Molecular FormulaC16H31F3O2
Molecular Weight312.42 g/mol
Exact Mass312.23
IUPAC Name(2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol
SMILESCCCC(C[C@@H](C)C(O)C[C@@](C)(O)C(F)(F)F)[C@H](C)CC
InChIInChI=1S/C16H31F3O2/c1-6-8-13(11(3)7-2)9-12(4)14(20)10-15(5,21)16(17,18)19/h11-14,20-21H,6-10H2,1-5H3/t11-,12-,13?,14?,15-/m1/s1
InChIKeyKUPQQLVBKHGZQX-WMUDQEJXSA-N
XLogP4.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol with MolForge

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Related Compounds

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cis-Cyclododecanemethanol, 2-hydroxy-alpha,alpha-bis(trifluoromethyl)-
CID 294316
(2S,3S)-2-(trifluoromethyl)nonane-1,2,3-triol
CID 16116530
5,6-Bis(2,2,2-trifluoroethyl)decane-1,10-diol
CID 166442862
3,7,11,15-Tetramethylhexadecan-1,3-diol
CID 13072457
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-2,2-dimethyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)undecane-1,3-diol
CID 10129633
(2R)-6-ethyl-1,1,1-trifluorooctan-2-ol
CID 18396354
(2R)-7-ethyl-1,1,1-trifluorononan-2-ol
CID 18396356
9,9-Difluoro-6-(3-hydroxy-3-methylbutyl)-2,10-dimethylundecane-2,3,10-triol
CID 18783313
7-Ethyl-1,1,1-trifluorononan-2-ol
CID 19598550
6-Ethyl-1,1,1-trifluorooctan-2-ol
CID 19598551

Frequently Asked Questions

What is the IUPAC name of (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol?
The IUPAC name of (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol (CID 163724748) is (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol.
What is the SMILES notation for (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol?
The canonical SMILES for (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol is CCCC(C[C@@H](C)C(O)C[C@@](C)(O)C(F)(F)F)[C@H](C)CC.
What is the InChIKey of (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol?
The InChIKey is KUPQQLVBKHGZQX-WMUDQEJXSA-N. The full InChI is InChI=1S/C16H31F3O2/c1-6-8-13(11(3)7-2)9-12(4)14(20)10-15(5,21)16(17,18)19/h11-14,20-21H,6-10H2,1-5H3/t11-,12-,13?,14?,15-/m1/s1.
What are the key properties of (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol?
(2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol has a molecular weight of 312.42 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol is sourced from PubChem (CID 163724748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).