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

C10H9F3O — CID 67931210

IUPAC3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
SMILESOC=CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-3,5-7,14H,4H2
InChIKeyGGFYMBPIQJXVRJ-UHFFFAOYSA-N
MW202.18 g/mol
LogP3.32
Rot. Bonds2

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

3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol (PubChem CID 67931210) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
PubChem CID67931210
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
SMILESOC=CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-3,5-7,14H,4H2
InChIKeyGGFYMBPIQJXVRJ-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 53.32
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

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
CID 66983008
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea
CID 131851267
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 40609421
2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
CID 143453509
propan-2-one;3-[3-(trifluoromethyl)phenyl]propanal
CID 142437514
potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
CID 63701463
1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 58227076
[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
CID 57291400

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol (CID 67931210) is 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol is OC=CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol?
The InChIKey is GGFYMBPIQJXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-3,5-7,14H,4H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol?
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol has a molecular weight of 202.18 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol is sourced from PubChem (CID 67931210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).