(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane

C10H18F2O — CID 164775785

IUPAC(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
SMILESCC(C)[C@H]1O[C@@H](C(C)C)[C@H](F)[C@H]1F
InChIInChI=1S/C10H18F2O/c1-5(2)9-7(11)8(12)10(13-9)6(3)4/h5-10H,1-4H3/t7-,8-,9-,10+/m1/s1
InChIKeyWHMWDDHSSMCPFW-KYXWUPHJSA-N
MW192.25 g/mol
LogP2.74
Rot. Bonds2

About (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane

(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane (PubChem CID 164775785) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
PubChem CID164775785
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
SMILESCC(C)[C@H]1O[C@@H](C(C)C)[C@H](F)[C@H]1F
InChIInChI=1S/C10H18F2O/c1-5(2)9-7(11)8(12)10(13-9)6(3)4/h5-10H,1-4H3/t7-,8-,9-,10+/m1/s1
InChIKeyWHMWDDHSSMCPFW-KYXWUPHJSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S,4R,5S)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775725
(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol
CID 164775784
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 153278394
N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine
CID 167005290
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203
2-ethyl-3-propan-2-yloxirane
CID 22934413
2-pentan-3-yl-3-propan-2-yloxirane
CID 22934396
(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane
CID 167667741
(3S,6R)-3-propan-2-yl-2,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 89234801
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane?
The IUPAC name of (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane (CID 164775785) is (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane.
What is the SMILES notation for (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane?
The canonical SMILES for (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane is CC(C)[C@H]1O[C@@H](C(C)C)[C@H](F)[C@H]1F.
What is the InChIKey of (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane?
The InChIKey is WHMWDDHSSMCPFW-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H18F2O/c1-5(2)9-7(11)8(12)10(13-9)6(3)4/h5-10H,1-4H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane?
(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane has a molecular weight of 192.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane is sourced from PubChem (CID 164775785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).