(3R)-1-(2-fluoroethoxy)-3-methylpentane

C8H17FO — CID 130394752

IUPAC(3R)-1-(2-fluoroethoxy)-3-methylpentane
SMILESCC[C@@H](C)CCOCCF
InChIInChI=1S/C8H17FO/c1-3-8(2)4-6-10-7-5-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyWZKIOCMOCWBXLN-MRVPVSSYSA-N
MW148.22 g/mol
LogP2.41
Rot. Bonds6

About (3R)-1-(2-fluoroethoxy)-3-methylpentane

(3R)-1-(2-fluoroethoxy)-3-methylpentane (PubChem CID 130394752) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is (3R)-1-(2-fluoroethoxy)-3-methylpentane.

Molecular Properties

Compound Name(3R)-1-(2-fluoroethoxy)-3-methylpentane
PubChem CID130394752
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name(3R)-1-(2-fluoroethoxy)-3-methylpentane
SMILESCC[C@@H](C)CCOCCF
InChIInChI=1S/C8H17FO/c1-3-8(2)4-6-10-7-5-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyWZKIOCMOCWBXLN-MRVPVSSYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.41
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

3-methyl-1-propoxypentane
CID 123388243
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
CID 172857942
1-fluoro-5-(fluoromethoxy)-3-methylpentane
CID 59086817
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
CID 143398421
3-(3,6,8-trimethyldecoxy)propan-1-amine
CID 146184541
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
2-(7-methylnonoxy)ethanamine
CID 90169866
2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
CID 176653191
2-[2-[2-[2-(8-methyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176653038

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluoroethoxy)-3-methylpentane?
The IUPAC name of (3R)-1-(2-fluoroethoxy)-3-methylpentane (CID 130394752) is (3R)-1-(2-fluoroethoxy)-3-methylpentane.
What is the SMILES notation for (3R)-1-(2-fluoroethoxy)-3-methylpentane?
The canonical SMILES for (3R)-1-(2-fluoroethoxy)-3-methylpentane is CC[C@@H](C)CCOCCF.
What is the InChIKey of (3R)-1-(2-fluoroethoxy)-3-methylpentane?
The InChIKey is WZKIOCMOCWBXLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17FO/c1-3-8(2)4-6-10-7-5-9/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1-(2-fluoroethoxy)-3-methylpentane?
(3R)-1-(2-fluoroethoxy)-3-methylpentane has a molecular weight of 148.22 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluoroethoxy)-3-methylpentane is sourced from PubChem (CID 130394752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).