1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol

C12H14F4O — CID 107287355

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H14F4O/c1-2-3-4-11(17)8-5-6-9(10(13)7-8)12(14,15)16/h5-7,11,17H,2-4H2,1H3
InChIKeyPHBBIGIKAXWTFX-UHFFFAOYSA-N
MW250.23 g/mol
LogP4.07
Rot. Bonds4

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol

1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 107287355) has the molecular formula C12H14F4O and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID107287355
Molecular FormulaC12H14F4O
Molecular Weight250.23 g/mol
Exact Mass250.10
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H14F4O/c1-2-3-4-11(17)8-5-6-9(10(13)7-8)12(14,15)16/h5-7,11,17H,2-4H2,1H3
InChIKeyPHBBIGIKAXWTFX-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-ol
CID 107292089
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol
CID 107288640
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol (CID 107287355) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol is CCCCC(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is PHBBIGIKAXWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O/c1-2-3-4-11(17)8-5-6-9(10(13)7-8)12(14,15)16/h5-7,11,17H,2-4H2,1H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol?
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 250.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 107287355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).