(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol

C12H15F3O2 — CID 78996550

IUPAC(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCCC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-2-10(16)9-5-3-4-6-11(9)17-8-7-12(13,14)15/h3-6,10,16H,2,7-8H2,1H3/t10-/m0/s1
InChIKeyCNBREVNZQRZTED-JTQLQIEISA-N
MW248.24 g/mol
LogP3.46
Rot. Bonds5

About (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol

(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol (PubChem CID 78996550) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
PubChem CID78996550
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCCC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-2-10(16)9-5-3-4-6-11(9)17-8-7-12(13,14)15/h3-6,10,16H,2,7-8H2,1H3/t10-/m0/s1
InChIKeyCNBREVNZQRZTED-JTQLQIEISA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
6-[2-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106712954
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol (CID 78996550) is (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCCC(F)(F)F.
What is the InChIKey of (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol?
The InChIKey is CNBREVNZQRZTED-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F3O2/c1-2-10(16)9-5-3-4-6-11(9)17-8-7-12(13,14)15/h3-6,10,16H,2,7-8H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol?
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 78996550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).