2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol

C14H18F4O2 — CID 66058858

IUPAC2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESOCC(CCCOCC(F)(F)F)Cc1cccc(F)c1
InChIInChI=1S/C14H18F4O2/c15-13-5-1-3-11(8-13)7-12(9-19)4-2-6-20-10-14(16,17)18/h1,3,5,8,12,19H,2,4,6-7,9-10H2
InChIKeyJGAJWYBDGNMYBX-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.34
Rot. Bonds8

About 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol

2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 66058858) has the molecular formula C14H18F4O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
PubChem CID66058858
Molecular FormulaC14H18F4O2
Molecular Weight294.29 g/mol
Exact Mass294.12
IUPAC Name2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESOCC(CCCOCC(F)(F)F)Cc1cccc(F)c1
InChIInChI=1S/C14H18F4O2/c15-13-5-1-3-11(8-13)7-12(9-19)4-2-6-20-10-14(16,17)18/h1,3,5,8,12,19H,2,4,6-7,9-10H2
InChIKeyJGAJWYBDGNMYBX-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 79443233
2-[(3-fluorophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61490337
2-[(3-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528398
1-[2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)pentyl]-3-chlorobenzene
CID 66043122
2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66059277
2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530806
1-[2-(chloromethyl)-5-ethoxypentyl]-3-fluorobenzene
CID 66049005
5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol
CID 66058434
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 79440635
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79441142
1-[(3-fluorophenyl)methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111877455
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 66058858) is 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol is OCC(CCCOCC(F)(F)F)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The InChIKey is JGAJWYBDGNMYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O2/c15-13-5-1-3-11(8-13)7-12(9-19)4-2-6-20-10-14(16,17)18/h1,3,5,8,12,19H,2,4,6-7,9-10H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 294.29 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 66058858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).