(3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol

C10H22F2O2 — CID 143168335

IUPAC(3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol
SMILESCC(C)O.CCC(F)(F)[C@H](C)CCO
InChIInChI=1S/C7H14F2O.C3H8O/c1-3-7(8,9)6(2)4-5-10;1-3(2)4/h6,10H,3-5H2,1-2H3;3-4H,1-2H3/t6-;/m1./s1
InChIKeyFUIXWCIXWCHDHB-FYZOBXCZSA-N
MW212.28 g/mol
LogP2.44
Rot. Bonds4

About (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol

(3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol (PubChem CID 143168335) has the molecular formula C10H22F2O2 and a molecular weight of 212.28 g/mol. Its IUPAC name is (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol.

Molecular Properties

Compound Name(3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol
PubChem CID143168335
Molecular FormulaC10H22F2O2
Molecular Weight212.28 g/mol
Exact Mass212.16
IUPAC Name(3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol
SMILESCC(C)O.CCC(F)(F)[C@H](C)CCO
InChIInChI=1S/C7H14F2O.C3H8O/c1-3-7(8,9)6(2)4-5-10;1-3(2)4/h6,10H,3-5H2,1-2H3;3-4H,1-2H3/t6-;/m1./s1
InChIKeyFUIXWCIXWCHDHB-FYZOBXCZSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol?
The IUPAC name of (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol (CID 143168335) is (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol.
What is the SMILES notation for (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol?
The canonical SMILES for (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol is CC(C)O.CCC(F)(F)[C@H](C)CCO.
What is the InChIKey of (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol?
The InChIKey is FUIXWCIXWCHDHB-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H14F2O.C3H8O/c1-3-7(8,9)6(2)4-5-10;1-3(2)4/h6,10H,3-5H2,1-2H3;3-4H,1-2H3/t6-;/m1./s1.
What are the key properties of (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol?
(3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol has a molecular weight of 212.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-difluoro-3-methylhexan-1-ol;propan-2-ol is sourced from PubChem (CID 143168335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).