1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol

C13H14F4O — CID 114473996

IUPAC1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C13H14F4O/c1-8(2)3-6-12(18)10-7-9(14)4-5-11(10)13(15,16)17/h4-5,7,12,18H,1,3,6H2,2H3
InChIKeyYCPCDGJEIAZQQY-UHFFFAOYSA-N
MW262.25 g/mol
LogP4.23
Rot. Bonds4

About 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol

1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol (PubChem CID 114473996) has the molecular formula C13H14F4O and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
PubChem CID114473996
Molecular FormulaC13H14F4O
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C13H14F4O/c1-8(2)3-6-12(18)10-7-9(14)4-5-11(10)13(15,16)17/h4-5,7,12,18H,1,3,6H2,2H3
InChIKeyYCPCDGJEIAZQQY-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
CID 83175379
(2S,3S)-3-amino-1,1,1-trifluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 171269524
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890738
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
CID 105127366
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol?
The IUPAC name of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol (CID 114473996) is 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol?
The InChIKey is YCPCDGJEIAZQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O/c1-8(2)3-6-12(18)10-7-9(14)4-5-11(10)13(15,16)17/h4-5,7,12,18H,1,3,6H2,2H3.
What are the key properties of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol?
1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol has a molecular weight of 262.25 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol is sourced from PubChem (CID 114473996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).