(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol

C9H16F2O2 — CID 142810075

IUPAC(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol
SMILESC/C=C(\OC(C)C)C(O)C(C)(F)F
InChIInChI=1S/C9H16F2O2/c1-5-7(13-6(2)3)8(12)9(4,10)11/h5-6,8,12H,1-4H3/b7-5-
InChIKeyJTPUHUORWIEIBR-ALCCZGGFSA-N
MW194.22 g/mol
LogP2.33
Rot. Bonds4

About (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol

(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol (PubChem CID 142810075) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol.

Molecular Properties

Compound Name(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol
PubChem CID142810075
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol
SMILESC/C=C(\OC(C)C)C(O)C(C)(F)F
InChIInChI=1S/C9H16F2O2/c1-5-7(13-6(2)3)8(12)9(4,10)11/h5-6,8,12H,1-4H3/b7-5-
InChIKeyJTPUHUORWIEIBR-ALCCZGGFSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one
CID 118327341
dipropan-2-yl 2-(2,2-dimethylpropylidene)propanedioate
CID 134607603
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
(E)-1-chloro-2-propan-2-yloxybut-2-ene
CID 130216574
propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798173
propan-2-yl 3,3,3-trifluoro-2-methylpropanoate
CID 13183702
propan-2-yl 2-chloro-2,2-difluoroacetate
CID 14008863
propan-2-yl 2,2-difluoro-2-iodoacetate
CID 4738502
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
propan-2-yl (Z)-2-hydroxy-5,5-dimethyl-4-oxohex-2-enoate
CID 101400932
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol?
The IUPAC name of (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol (CID 142810075) is (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol.
What is the SMILES notation for (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol?
The canonical SMILES for (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol is C/C=C(\OC(C)C)C(O)C(C)(F)F.
What is the InChIKey of (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol?
The InChIKey is JTPUHUORWIEIBR-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-5-7(13-6(2)3)8(12)9(4,10)11/h5-6,8,12H,1-4H3/b7-5-.
What are the key properties of (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol?
(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol has a molecular weight of 194.22 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol is sourced from PubChem (CID 142810075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).