3-fluoro-2,2-dimethyl-3-propoxypentane

C10H21FO — CID 170000467

IUPAC3-fluoro-2,2-dimethyl-3-propoxypentane
SMILESCCCOC(F)(CC)C(C)(C)C
InChIInChI=1S/C10H21FO/c1-6-8-12-10(11,7-2)9(3,4)5/h6-8H2,1-5H3
InChIKeyIZFWCFQIZGTGJJ-UHFFFAOYSA-N
MW176.27 g/mol
LogP3.53
Rot. Bonds4

About 3-fluoro-2,2-dimethyl-3-propoxypentane

3-fluoro-2,2-dimethyl-3-propoxypentane (PubChem CID 170000467) has the molecular formula C10H21FO and a molecular weight of 176.27 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3-propoxypentane.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3-propoxypentane
PubChem CID170000467
Molecular FormulaC10H21FO
Molecular Weight176.27 g/mol
Exact Mass176.16
IUPAC Name3-fluoro-2,2-dimethyl-3-propoxypentane
SMILESCCCOC(F)(CC)C(C)(C)C
InChIInChI=1S/C10H21FO/c1-6-8-12-10(11,7-2)9(3,4)5/h6-8H2,1-5H3
InChIKeyIZFWCFQIZGTGJJ-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-3-propoxypentane?
The IUPAC name of 3-fluoro-2,2-dimethyl-3-propoxypentane (CID 170000467) is 3-fluoro-2,2-dimethyl-3-propoxypentane.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3-propoxypentane?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3-propoxypentane is CCCOC(F)(CC)C(C)(C)C.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3-propoxypentane?
The InChIKey is IZFWCFQIZGTGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO/c1-6-8-12-10(11,7-2)9(3,4)5/h6-8H2,1-5H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3-propoxypentane?
3-fluoro-2,2-dimethyl-3-propoxypentane has a molecular weight of 176.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3-propoxypentane is sourced from PubChem (CID 170000467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).