1,1,1-trifluoro-7-methoxyheptan-4-ol

C8H15F3O2 — CID 65091968

IUPAC1,1,1-trifluoro-7-methoxyheptan-4-ol
SMILESCOCCCC(O)CCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-13-6-2-3-7(12)4-5-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyFVFUUULFOOYEGU-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.12
Rot. Bonds6

About 1,1,1-trifluoro-7-methoxyheptan-4-ol

1,1,1-trifluoro-7-methoxyheptan-4-ol (PubChem CID 65091968) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-7-methoxyheptan-4-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-7-methoxyheptan-4-ol
PubChem CID65091968
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name1,1,1-trifluoro-7-methoxyheptan-4-ol
SMILESCOCCCC(O)CCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-13-6-2-3-7(12)4-5-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyFVFUUULFOOYEGU-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.12
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

7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
1-ethoxy-5-methoxypentan-2-ol
CID 79566643
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
1-amino-4-methoxybutan-1-ol
CID 57141832
1,1,1-trifluoro-7-methoxyheptan-4-one
CID 65092607
5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309
6-methoxyhex-1-en-3-ol
CID 105108568
7-methoxyheptane-1,5-diol
CID 57129669
tert-butyl 3-hydroxy-6-methoxyhexanoate
CID 23355644
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine
CID 115513641

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-7-methoxyheptan-4-ol?
The IUPAC name of 1,1,1-trifluoro-7-methoxyheptan-4-ol (CID 65091968) is 1,1,1-trifluoro-7-methoxyheptan-4-ol.
What is the SMILES notation for 1,1,1-trifluoro-7-methoxyheptan-4-ol?
The canonical SMILES for 1,1,1-trifluoro-7-methoxyheptan-4-ol is COCCCC(O)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-7-methoxyheptan-4-ol?
The InChIKey is FVFUUULFOOYEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-13-6-2-3-7(12)4-5-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-7-methoxyheptan-4-ol?
1,1,1-trifluoro-7-methoxyheptan-4-ol has a molecular weight of 200.20 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-7-methoxyheptan-4-ol is sourced from PubChem (CID 65091968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).