(Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene

C11H21F — CID 167049947

IUPAC(Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene
SMILESCC/C=C\C(C)(CCF)C(C)C
InChIInChI=1S/C11H21F/c1-5-6-7-11(4,8-9-12)10(2)3/h6-7,10H,5,8-9H2,1-4H3/b7-6-
InChIKeyAQAALDPFXQBALP-SREVYHEPSA-N
MW172.29 g/mol
LogP3.97
Rot. Bonds5

About (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene

(Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene (PubChem CID 167049947) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene.

Molecular Properties

Compound Name(Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene
PubChem CID167049947
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name(Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene
SMILESCC/C=C\C(C)(CCF)C(C)C
InChIInChI=1S/C11H21F/c1-5-6-7-11(4,8-9-12)10(2)3/h6-7,10H,5,8-9H2,1-4H3/b7-6-
InChIKeyAQAALDPFXQBALP-SREVYHEPSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane
CID 118536191
(E)-2,2-dimethylhex-3-ene
CID 5357261
[(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride
CID 6434666
2-but-1-enyl-2,4-dimethyl-4-propylpentane-1,3,5-triol
CID 123536516
1-fluoro-3,3,4-trimethylhexane
CID 123778940
ethane;3-methyl-3-propan-2-ylhept-1-ene
CID 162730739
2-ethyl-2-methyl-1-(3-methylpentan-3-ylamino)hex-3-en-1-ol
CID 146521804
4-fluoro-2,2-dimethylbutanal
CID 130704248
1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene
CID 54506963
8-fluoro-7,7-dimethyloct-3-ene
CID 174848410
(E,5S)-5,6,6-trimethylhept-3-ene
CID 134979568
pent-2-ene-1,1,1-triamine
CID 91102245

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene?
The IUPAC name of (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene (CID 167049947) is (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene.
What is the SMILES notation for (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene?
The canonical SMILES for (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene is CC/C=C\C(C)(CCF)C(C)C.
What is the InChIKey of (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene?
The InChIKey is AQAALDPFXQBALP-SREVYHEPSA-N. The full InChI is InChI=1S/C11H21F/c1-5-6-7-11(4,8-9-12)10(2)3/h6-7,10H,5,8-9H2,1-4H3/b7-6-.
What are the key properties of (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene?
(Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene has a molecular weight of 172.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene is sourced from PubChem (CID 167049947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).