1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C15H20F4O2 — CID 103474140

IUPAC1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCC(C)Cc1cccc(C(O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C15H20F4O2/c1-10(2)6-11-4-3-5-12(7-11)13(20)8-21-9-15(18,19)14(16)17/h3-5,7,10,13-14,20H,6,8-9H2,1-2H3
InChIKeyCQVJEXZMGHVZPX-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.84
Rot. Bonds8

About 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103474140) has the molecular formula C15H20F4O2 and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103474140
Molecular FormulaC15H20F4O2
Molecular Weight308.32 g/mol
Exact Mass308.14
IUPAC Name1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCC(C)Cc1cccc(C(O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C15H20F4O2/c1-10(2)6-11-4-3-5-12(7-11)13(20)8-21-9-15(18,19)14(16)17/h3-5,7,10,13-14,20H,6,8-9H2,1-2H3
InChIKeyCQVJEXZMGHVZPX-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol
CID 156764154
3,3,4,4,4-pentafluoro-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 156764542
1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474035
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
CID 115527685
1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474001
1-(3-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475617
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103474140) is 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol is CC(C)Cc1cccc(C(O)COCC(F)(F)C(F)F)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is CQVJEXZMGHVZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O2/c1-10(2)6-11-4-3-5-12(7-11)13(20)8-21-9-15(18,19)14(16)17/h3-5,7,10,13-14,20H,6,8-9H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 308.32 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103474140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).