(2R)-1,4-difluoro-3-methoxy-2-methylpentane

C7H14F2O — CID 163574640

IUPAC(2R)-1,4-difluoro-3-methoxy-2-methylpentane
SMILESCOC(C(C)F)[C@@H](C)CF
InChIInChI=1S/C7H14F2O/c1-5(4-8)7(10-3)6(2)9/h5-7H,4H2,1-3H3/t5-,6?,7?/m0/s1
InChIKeyGCJRSDAEBPWCOF-VTSJMVTISA-N
MW152.18 g/mol
LogP1.97
Rot. Bonds4

About (2R)-1,4-difluoro-3-methoxy-2-methylpentane

(2R)-1,4-difluoro-3-methoxy-2-methylpentane (PubChem CID 163574640) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is (2R)-1,4-difluoro-3-methoxy-2-methylpentane.

Molecular Properties

Compound Name(2R)-1,4-difluoro-3-methoxy-2-methylpentane
PubChem CID163574640
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name(2R)-1,4-difluoro-3-methoxy-2-methylpentane
SMILESCOC(C(C)F)[C@@H](C)CF
InChIInChI=1S/C7H14F2O/c1-5(4-8)7(10-3)6(2)9/h5-7H,4H2,1-3H3/t5-,6?,7?/m0/s1
InChIKeyGCJRSDAEBPWCOF-VTSJMVTISA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-difluoro-3-methoxy-2-methylpentane?
The IUPAC name of (2R)-1,4-difluoro-3-methoxy-2-methylpentane (CID 163574640) is (2R)-1,4-difluoro-3-methoxy-2-methylpentane.
What is the SMILES notation for (2R)-1,4-difluoro-3-methoxy-2-methylpentane?
The canonical SMILES for (2R)-1,4-difluoro-3-methoxy-2-methylpentane is COC(C(C)F)[C@@H](C)CF.
What is the InChIKey of (2R)-1,4-difluoro-3-methoxy-2-methylpentane?
The InChIKey is GCJRSDAEBPWCOF-VTSJMVTISA-N. The full InChI is InChI=1S/C7H14F2O/c1-5(4-8)7(10-3)6(2)9/h5-7H,4H2,1-3H3/t5-,6?,7?/m0/s1.
What are the key properties of (2R)-1,4-difluoro-3-methoxy-2-methylpentane?
(2R)-1,4-difluoro-3-methoxy-2-methylpentane has a molecular weight of 152.18 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-difluoro-3-methoxy-2-methylpentane is sourced from PubChem (CID 163574640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).