1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane

C15H20F6O — CID 143627234

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane
SMILESCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CCCCC
InChIInChI=1S/C10H8F6O.C5H12/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16;1-3-5-4-2/h2-5,17H,1H3;3-5H2,1-2H3
InChIKeyOXOQVLWIJKKXHH-UHFFFAOYSA-N
MW330.31 g/mol
LogP5.97
Rot. Bonds3

About 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane

1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane (PubChem CID 143627234) has the molecular formula C15H20F6O and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane
PubChem CID143627234
Molecular FormulaC15H20F6O
Molecular Weight330.31 g/mol
Exact Mass330.14
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane
SMILESCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CCCCC
InChIInChI=1S/C10H8F6O.C5H12/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16;1-3-5-4-2/h2-5,17H,1H3;3-5H2,1-2H3
InChIKeyOXOQVLWIJKKXHH-UHFFFAOYSA-N
XLogP5.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.31
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006
2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol
CID 83052238
1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 130251073
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
(1R,2R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-nitrobutan-1-ol
CID 53363737
1-(3-ethyl-3-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 145045291
1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
CID 18543623
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 82685028
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroacetate
CID 134832982
ethyl 2-amino-2-[3,5-bis(trifluoromethyl)phenyl]acetate
CID 79015790
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane (CID 143627234) is 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane is CC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CCCCC.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane?
The InChIKey is OXOQVLWIJKKXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O.C5H12/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16;1-3-5-4-2/h2-5,17H,1H3;3-5H2,1-2H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane?
1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane has a molecular weight of 330.31 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane is sourced from PubChem (CID 143627234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).