1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol

C15H20F4O3 — CID 83949980

IUPAC1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol
SMILESCCCOc1cc(F)c(C(C)(O)C(F)(F)F)cc1OCCC
InChIInChI=1S/C15H20F4O3/c1-4-6-21-12-8-10(14(3,20)15(17,18)19)11(16)9-13(12)22-7-5-2/h8-9,20H,4-7H2,1-3H3
InChIKeyXVSPZYOZYSOQHF-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.17
Rot. Bonds7

About 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol

1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol (PubChem CID 83949980) has the molecular formula C15H20F4O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol
PubChem CID83949980
Molecular FormulaC15H20F4O3
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC Name1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol
SMILESCCCOc1cc(F)c(C(C)(O)C(F)(F)F)cc1OCCC
InChIInChI=1S/C15H20F4O3/c1-4-6-21-12-8-10(14(3,20)15(17,18)19)11(16)9-13(12)22-7-5-2/h8-9,20H,4-7H2,1-3H3
InChIKeyXVSPZYOZYSOQHF-UHFFFAOYSA-N
XLogP4.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
CID 83949751
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959162
2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959054
(2,5-difluoro-4-propoxyphenyl)methanol
CID 164890870
2-(2,5-dimethyl-4-propoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 83959004
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
CID 63897713
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
1-(4-fluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 104658477
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
2,3,6,7-tetrapropoxyanthracene
CID 102343273
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol (CID 83949980) is 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol is CCCOc1cc(F)c(C(C)(O)C(F)(F)F)cc1OCCC.
What is the InChIKey of 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol?
The InChIKey is XVSPZYOZYSOQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O3/c1-4-6-21-12-8-10(14(3,20)15(17,18)19)11(16)9-13(12)22-7-5-2/h8-9,20H,4-7H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol?
1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol has a molecular weight of 324.31 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol is sourced from PubChem (CID 83949980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).