ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol

C22H29F3O — CID 143149816

IUPACethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
SMILESCC.CCCCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3O.C2H6/c1-2-3-4-5-6-19(24)17-9-7-15(8-10-17)16-11-13-18(14-12-16)20(21,22)23;1-2/h7-14,19,24H,2-6H2,1H3;1-2H3
InChIKeyKFAAZBQLKWRGNM-UHFFFAOYSA-N
MW366.47 g/mol
LogP7.40
Rot. Bonds7

About ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol

ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol (PubChem CID 143149816) has the molecular formula C22H29F3O and a molecular weight of 366.47 g/mol. Its IUPAC name is ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol.

Molecular Properties

Compound Nameethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
PubChem CID143149816
Molecular FormulaC22H29F3O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Nameethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
SMILESCC.CCCCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3O.C2H6/c1-2-3-4-5-6-19(24)17-9-7-15(8-10-17)16-11-13-18(14-12-16)20(21,22)23;1-2/h7-14,19,24H,2-6H2,1H3;1-2H3
InChIKeyKFAAZBQLKWRGNM-UHFFFAOYSA-N
XLogP7.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol
CID 67344061
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol
CID 162098581
4-(1-hydroxytridecyl)phenol
CID 57120972
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol?
The IUPAC name of ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol (CID 143149816) is ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol.
What is the SMILES notation for ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol?
The canonical SMILES for ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol is CC.CCCCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol?
The InChIKey is KFAAZBQLKWRGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3O.C2H6/c1-2-3-4-5-6-19(24)17-9-7-15(8-10-17)16-11-13-18(14-12-16)20(21,22)23;1-2/h7-14,19,24H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol?
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol has a molecular weight of 366.47 g/mol, XLogP of 7.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol is sourced from PubChem (CID 143149816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).