1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol

C13H14F6O2 — CID 83949751

IUPAC1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCCCOc1ccc(C(F)(F)F)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C13H14F6O2/c1-3-6-21-10-5-4-8(12(14,15)16)7-9(10)11(2,20)13(17,18)19/h4-5,7,20H,3,6H2,1-2H3
InChIKeyBNQRVRXXNZKFAL-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.26
Rot. Bonds4

About 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol

1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 83949751) has the molecular formula C13H14F6O2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID83949751
Molecular FormulaC13H14F6O2
Molecular Weight316.24 g/mol
Exact Mass316.09
IUPAC Name1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCCCOc1ccc(C(F)(F)F)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C13H14F6O2/c1-3-6-21-10-5-4-8(12(14,15)16)7-9(10)11(2,20)13(17,18)19/h4-5,7,20H,3,6H2,1-2H3
InChIKeyBNQRVRXXNZKFAL-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol
CID 83949980
2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
CID 63897713
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
3-[2,4-bis(trifluoromethyl)phenoxy]-1,1,1-trifluoropropane-2,2-diol
CID 166738236
1,1-bis(2-butoxy-5-tert-butylphenyl)propan-1-ol
CID 23135771
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
4-oxo-4-[2-propoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262879
3-[2-propoxy-5-(trifluoromethyl)phenyl]propane-1-thiol
CID 83921271
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959162

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol (CID 83949751) is 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol is CCCOc1ccc(C(F)(F)F)cc1C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is BNQRVRXXNZKFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6O2/c1-3-6-21-10-5-4-8(12(14,15)16)7-9(10)11(2,20)13(17,18)19/h4-5,7,20H,3,6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol?
1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 316.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 83949751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).