3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol

C10H8F4O — CID 143164725

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
SMILESC=C(O)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F4O/c1-6(15)4-7-2-3-9(11)8(5-7)10(12,13)14/h2-3,5,15H,1,4H2
InChIKeyXIQZEOUVXAKHNM-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.46
Rot. Bonds2

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol

3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol (PubChem CID 143164725) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
PubChem CID143164725
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
SMILESC=C(O)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F4O/c1-6(15)4-7-2-3-9(11)8(5-7)10(12,13)14/h2-3,5,15H,1,4H2
InChIKeyXIQZEOUVXAKHNM-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonic acid
CID 141423589
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]guanidine
CID 71510299
1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 67073311
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851137
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 156907937
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane
CID 107290790

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol (CID 143164725) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol is C=C(O)Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol?
The InChIKey is XIQZEOUVXAKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-6(15)4-7-2-3-9(11)8(5-7)10(12,13)14/h2-3,5,15H,1,4H2.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol?
3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol has a molecular weight of 220.16 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol is sourced from PubChem (CID 143164725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).