[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol

C14H16F4O3 — CID 107288648

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
SMILESCOC1(C(O)c2ccc(C(F)(F)F)c(F)c2)CCOCC1
InChIInChI=1S/C14H16F4O3/c1-20-13(4-6-21-7-5-13)12(19)9-2-3-10(11(15)8-9)14(16,17)18/h2-3,8,12,19H,4-7H2,1H3
InChIKeyRLLJGIQOAHNEKW-UHFFFAOYSA-N
MW308.27 g/mol
LogP3.07
Rot. Bonds3

About [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol

[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol (PubChem CID 107288648) has the molecular formula C14H16F4O3 and a molecular weight of 308.27 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
PubChem CID107288648
Molecular FormulaC14H16F4O3
Molecular Weight308.27 g/mol
Exact Mass308.10
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
SMILESCOC1(C(O)c2ccc(C(F)(F)F)c(F)c2)CCOCC1
InChIInChI=1S/C14H16F4O3/c1-20-13(4-6-21-7-5-13)12(19)9-2-3-10(11(15)8-9)14(16,17)18/h2-3,8,12,19H,4-7H2,1H3
InChIKeyRLLJGIQOAHNEKW-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
CID 107292057
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol
CID 116753998
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
CID 154991049
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171249564
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
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol (CID 107288648) is [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol is COC1(C(O)c2ccc(C(F)(F)F)c(F)c2)CCOCC1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol?
The InChIKey is RLLJGIQOAHNEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O3/c1-20-13(4-6-21-7-5-13)12(19)9-2-3-10(11(15)8-9)14(16,17)18/h2-3,8,12,19H,4-7H2,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol?
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol has a molecular weight of 308.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol is sourced from PubChem (CID 107288648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).