(Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene

C13H25FO — CID 89397950

IUPAC(Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene
SMILESC/C(F)=C(\CCOC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25FO/c1-10(14)11(12(2,3)4)8-9-15-13(5,6)7/h8-9H2,1-7H3/b11-10-
InChIKeyNUCKNNLHQDPDBH-KHPPLWFESA-N
MW216.34 g/mol
LogP4.48
Rot. Bonds3

About (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene

(Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene (PubChem CID 89397950) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene.

Molecular Properties

Compound Name(Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene
PubChem CID89397950
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name(Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene
SMILESC/C(F)=C(\CCOC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25FO/c1-10(14)11(12(2,3)4)8-9-15-13(5,6)7/h8-9H2,1-7H3/b11-10-
InChIKeyNUCKNNLHQDPDBH-KHPPLWFESA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene?
The IUPAC name of (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene (CID 89397950) is (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene.
What is the SMILES notation for (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene?
The canonical SMILES for (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene is C/C(F)=C(\CCOC(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene?
The InChIKey is NUCKNNLHQDPDBH-KHPPLWFESA-N. The full InChI is InChI=1S/C13H25FO/c1-10(14)11(12(2,3)4)8-9-15-13(5,6)7/h8-9H2,1-7H3/b11-10-.
What are the key properties of (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene?
(Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene has a molecular weight of 216.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-4,4-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pent-2-ene is sourced from PubChem (CID 89397950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).