ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane

C17H35F — CID 145066156

IUPACethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane
SMILESCC.CC(C)CCCC1C=C(F)CCC1.CCC
InChIInChI=1S/C12H21F.C3H8.C2H6/c1-10(2)5-3-6-11-7-4-8-12(13)9-11;1-3-2;1-2/h9-11H,3-8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDIGVKWRFWJOMSP-UHFFFAOYSA-N
MW258.46 g/mol
LogP6.91
Rot. Bonds4

About ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane

ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane (PubChem CID 145066156) has the molecular formula C17H35F and a molecular weight of 258.46 g/mol. Its IUPAC name is ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane.

Molecular Properties

Compound Nameethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane
PubChem CID145066156
Molecular FormulaC17H35F
Molecular Weight258.46 g/mol
Exact Mass258.27
IUPAC Nameethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane
SMILESCC.CC(C)CCCC1C=C(F)CCC1.CCC
InChIInChI=1S/C12H21F.C3H8.C2H6/c1-10(2)5-3-6-11-7-4-8-12(13)9-11;1-3-2;1-2/h9-11H,3-8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDIGVKWRFWJOMSP-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol
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2-methylhexane;propane
CID 143695748
3-(5-methylhexan-2-yl)-6-propylcyclohexene
CID 123606448
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CID 143683767
ethane;hexane;2-methylhexane
CID 142051007
bis(2-methylheptane);propane
CID 158714851
(6S)-2,6-dimethyloctane;ethane;1-fluoro-4-(4-propylcyclohexyl)benzene;dihydrate
CID 143524549
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CID 67498965
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CID 22937327

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane?
The IUPAC name of ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane (CID 145066156) is ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane.
What is the SMILES notation for ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane?
The canonical SMILES for ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane is CC.CC(C)CCCC1C=C(F)CCC1.CCC.
What is the InChIKey of ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane?
The InChIKey is DIGVKWRFWJOMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F.C3H8.C2H6/c1-10(2)5-3-6-11-7-4-8-12(13)9-11;1-3-2;1-2/h9-11H,3-8H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane?
ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane has a molecular weight of 258.46 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane is sourced from PubChem (CID 145066156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).