[(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane

C12H18F4 — CID 15497040

IUPAC[(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane
SMILESCCCC/C(=C(/F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H18F4/c1-2-3-8-10(9-6-4-5-7-9)11(13)12(14,15)16/h9H,2-8H2,1H3/b11-10-
InChIKeyUXSNQGATCLRCAY-KHPPLWFESA-N
MW238.27 g/mol
LogP5.15
Rot. Bonds4

About [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane

[(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane (PubChem CID 15497040) has the molecular formula C12H18F4 and a molecular weight of 238.27 g/mol. Its IUPAC name is [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane.

Molecular Properties

Compound Name[(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane
PubChem CID15497040
Molecular FormulaC12H18F4
Molecular Weight238.27 g/mol
Exact Mass238.13
IUPAC Name[(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane
SMILESCCCC/C(=C(/F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H18F4/c1-2-3-8-10(9-6-4-5-7-9)11(13)12(14,15)16/h9H,2-8H2,1H3/b11-10-
InChIKeyUXSNQGATCLRCAY-KHPPLWFESA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.27
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
CID 11747114
2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 15837044
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
CID 19371850
1,1,1,4-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-2-ene
CID 23440027
2-Fluoro-3-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 69616229
4,4-Difluoro-1,2-di(propan-2-yl)cyclohexene
CID 70937746
6-[(E)-1,2-difluoroprop-1-enyl]undecane
CID 88116905
(Z)-5-(2-fluoropropyl)-4,7-dimethylnon-4-ene
CID 89247497
(1Z)-4-ethyl-3,3-difluoro-1,2-dimethylcyclooctene
CID 89982246
(4S)-2-fluoro-4-methyl-1-(3,4,5-trifluorocyclohexyl)cyclohexene
CID 90136891
5,5-Difluoro-1,2,3-trimethylcyclohexene
CID 90768116
2-Fluoro-4-methyl-1-(3,4,5-trifluorocyclohexyl)cyclohexene
CID 118699979

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane?
The IUPAC name of [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane (CID 15497040) is [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane.
What is the SMILES notation for [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane?
The canonical SMILES for [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane is CCCC/C(=C(/F)C(F)(F)F)C1CCCC1.
What is the InChIKey of [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane?
The InChIKey is UXSNQGATCLRCAY-KHPPLWFESA-N. The full InChI is InChI=1S/C12H18F4/c1-2-3-8-10(9-6-4-5-7-9)11(13)12(14,15)16/h9H,2-8H2,1H3/b11-10-.
What are the key properties of [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane?
[(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane has a molecular weight of 238.27 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclopentane is sourced from PubChem (CID 15497040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).