7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol

C14H19F3O2 — CID 115828386

IUPAC7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
SMILESCOc1ccc(CCC(O)CCCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-19-13-8-5-11(6-9-13)4-7-12(18)3-2-10-14(15,16)17/h5-6,8-9,12,18H,2-4,7,10H2,1H3
InChIKeyYKMUPFUQFIPPJJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.72
Rot. Bonds7

About 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol

7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol (PubChem CID 115828386) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
PubChem CID115828386
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
SMILESCOc1ccc(CCC(O)CCCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-19-13-8-5-11(6-9-13)4-7-12(18)3-2-10-14(15,16)17/h5-6,8-9,12,18H,2-4,7,10H2,1H3
InChIKeyYKMUPFUQFIPPJJ-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
CID 165355377
1-(4-methoxyphenyl)oct-7-yn-3-ol
CID 115831828
1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol
CID 103312524
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
[4-[(3R)-3-hydroxy-7-(4-methoxyphenyl)heptyl]phenyl] acetate
CID 46918951
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol?
The IUPAC name of 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol (CID 115828386) is 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol.
What is the SMILES notation for 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol?
The canonical SMILES for 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol is COc1ccc(CCC(O)CCCC(F)(F)F)cc1.
What is the InChIKey of 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol?
The InChIKey is YKMUPFUQFIPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-19-13-8-5-11(6-9-13)4-7-12(18)3-2-10-14(15,16)17/h5-6,8-9,12,18H,2-4,7,10H2,1H3.
What are the key properties of 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol?
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol has a molecular weight of 276.30 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol is sourced from PubChem (CID 115828386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).