2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol

C16H23F3O2 — CID 66060409

IUPAC2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H23F3O2/c1-3-5-10-15(4-2,12-20)11-13-6-8-14(9-7-13)21-16(17,18)19/h6-9,20H,3-5,10-12H2,1-2H3
InChIKeyPAGHRMVRNWPYAP-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.71
Rot. Bonds8

About 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol

2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol (PubChem CID 66060409) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol
PubChem CID66060409
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H23F3O2/c1-3-5-10-15(4-2,12-20)11-13-6-8-14(9-7-13)21-16(17,18)19/h6-9,20H,3-5,10-12H2,1-2H3
InChIKeyPAGHRMVRNWPYAP-UHFFFAOYSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-2-ethylhexyl]-4-(trifluoromethoxy)benzene
CID 66049793
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
2-[[4-[2,2-bis(hydroxymethyl)tetradecyl]phenyl]methyl]-2-dodecylpropane-1,3-diol
CID 142736441
1-butyl-4-[[1,1-difluoro-2-[4-(trifluoromethoxy)phenyl]ethoxy]methyl]benzene
CID 139748785
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-[2-(bromomethyl)-2-ethylhexyl]-4-methylbenzene
CID 66050456
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol (CID 66060409) is 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol is CCCCC(CC)(CO)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol?
The InChIKey is PAGHRMVRNWPYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-3-5-10-15(4-2,12-20)11-13-6-8-14(9-7-13)21-16(17,18)19/h6-9,20H,3-5,10-12H2,1-2H3.
What are the key properties of 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol?
2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol has a molecular weight of 304.35 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol is sourced from PubChem (CID 66060409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).