7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol

C15H13F19O — CID 2776233

IUPAC7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
SMILESOCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H13F19O/c16-7(17,5-3-1-2-4-6-35)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h35H,1-6H2
InChIKeyNLUBBCMDGCPSRF-UHFFFAOYSA-N
MW570.23 g/mol
LogP7.57
Rot. Bonds12

About 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol

7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol (PubChem CID 2776233) has the molecular formula C15H13F19O and a molecular weight of 570.23 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
PubChem CID2776233
Molecular FormulaC15H13F19O
Molecular Weight570.23 g/mol
Exact Mass570.07
IUPAC Name7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
SMILESOCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H13F19O/c16-7(17,5-3-1-2-4-6-35)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h35H,1-6H2
InChIKeyNLUBBCMDGCPSRF-UHFFFAOYSA-N
XLogP7.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.23
LogP ≤ 57.57
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

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol
CID 69537
1,1,2,2-Tetrahydroperfluoro-1-decanol
CID 69619
1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-
CID 9779
2-(Perfluorodecyl)ethanol
CID 70083
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecan-1-ol
CID 67548
1H,1H,8H-Perfluoro-1-octanol
CID 2776291
2-(Perfluorododecyl)ethanol
CID 162368
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononan-1-ol
CID 2776181
7:3 Fluorotelomer alcohol
CID 2783377
4:4 Fluorotelomer alcohol
CID 2769661
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

Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol?
The IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol (CID 2776233) is 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol.
What is the SMILES notation for 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol?
The canonical SMILES for 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol is OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol?
The InChIKey is NLUBBCMDGCPSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F19O/c16-7(17,5-3-1-2-4-6-35)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h35H,1-6H2.
What are the key properties of 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol?
7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol has a molecular weight of 570.23 g/mol, XLogP of 7.57, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol is sourced from PubChem (CID 2776233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).