1-fluoro-5-(fluoromethoxy)-3-methylpentane

C7H14F2O — CID 59086817

IUPAC1-fluoro-5-(fluoromethoxy)-3-methylpentane
SMILESCC(CCF)CCOCF
InChIInChI=1S/C7H14F2O/c1-7(2-4-8)3-5-10-6-9/h7H,2-6H2,1H3
InChIKeyAXZRWNOQSUFCSO-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.32
Rot. Bonds6

About 1-fluoro-5-(fluoromethoxy)-3-methylpentane

1-fluoro-5-(fluoromethoxy)-3-methylpentane (PubChem CID 59086817) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-fluoro-5-(fluoromethoxy)-3-methylpentane.

Molecular Properties

Compound Name1-fluoro-5-(fluoromethoxy)-3-methylpentane
PubChem CID59086817
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-fluoro-5-(fluoromethoxy)-3-methylpentane
SMILESCC(CCF)CCOCF
InChIInChI=1S/C7H14F2O/c1-7(2-4-8)3-5-10-6-9/h7H,2-6H2,1H3
InChIKeyAXZRWNOQSUFCSO-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-4-methyltetrahydropyran
CID 129723629
1,1-Difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane
CID 22084403
1,1,1-Trifluoro-5-methoxy-2-methylpentane
CID 54079437
[3-Fluoro-3-(fluoromethyl)pentyl] hypofluorite
CID 57667522
3-Ethyl-3,4-difluorooxolane
CID 58864056
(1,1-Difluoro-2-methoxyethyl)cyclopropane
CID 59009670
2,2-Difluoro-1-methoxy-4-methylpentane
CID 59458528
3-Fluoro-4-methyloxane
CID 59734978
1,1,1-Trifluoro-2-(methoxymethyl)pentane
CID 87244316
1-(Difluoromethoxy)-4-methylpentane
CID 87379260
3-(Difluoromethoxymethyl)pentane
CID 88872621
4-Methyl-1-(trifluoromethoxy)pentane
CID 88995088

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-(fluoromethoxy)-3-methylpentane?
The IUPAC name of 1-fluoro-5-(fluoromethoxy)-3-methylpentane (CID 59086817) is 1-fluoro-5-(fluoromethoxy)-3-methylpentane.
What is the SMILES notation for 1-fluoro-5-(fluoromethoxy)-3-methylpentane?
The canonical SMILES for 1-fluoro-5-(fluoromethoxy)-3-methylpentane is CC(CCF)CCOCF.
What is the InChIKey of 1-fluoro-5-(fluoromethoxy)-3-methylpentane?
The InChIKey is AXZRWNOQSUFCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-7(2-4-8)3-5-10-6-9/h7H,2-6H2,1H3.
What are the key properties of 1-fluoro-5-(fluoromethoxy)-3-methylpentane?
1-fluoro-5-(fluoromethoxy)-3-methylpentane has a molecular weight of 152.18 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-(fluoromethoxy)-3-methylpentane is sourced from PubChem (CID 59086817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).