cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride

C11H25F — CID 169140803

IUPACcis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
SMILESCC.CC(C)[C@@H]1CC[C@H](C)C1.F
InChIInChI=1S/C9H18.C2H6.FH/c1-7(2)9-5-4-8(3)6-9;1-2;/h7-9H,4-6H2,1-3H3;1-2H3;1H/t8-,9+;;/m0../s1
InChIKeyRPEVDCDIZNEWDR-DBEJOZALSA-N
MW176.32 g/mol
LogP4.26
Rot. Bonds1

About cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride

cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride (PubChem CID 169140803) has the molecular formula C11H25F and a molecular weight of 176.32 g/mol. Its IUPAC name is cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride.

Molecular Properties

Compound Namecis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
PubChem CID169140803
Molecular FormulaC11H25F
Molecular Weight176.32 g/mol
Exact Mass176.19
IUPAC Namecis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
SMILESCC.CC(C)[C@@H]1CC[C@H](C)C1.F
InChIInChI=1S/C9H18.C2H6.FH/c1-7(2)9-5-4-8(3)6-9;1-2;/h7-9H,4-6H2,1-3H3;1-2H3;1H/t8-,9+;;/m0../s1
InChIKeyRPEVDCDIZNEWDR-DBEJOZALSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
2-methyl-6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123673492
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-(3-methylcyclopentyl)ethanol
CID 12501270
N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine
CID 114543996
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[(1R,3S)-3-methylcyclopentyl]methanediol
CID 163440646
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
CID 162144552
propan-2-ylcyclopropane;hydroiodide
CID 162314014

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride?
The IUPAC name of cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride (CID 169140803) is cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride.
What is the SMILES notation for cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride?
The canonical SMILES for cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride is CC.CC(C)[C@@H]1CC[C@H](C)C1.F.
What is the InChIKey of cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride?
The InChIKey is RPEVDCDIZNEWDR-DBEJOZALSA-N. The full InChI is InChI=1S/C9H18.C2H6.FH/c1-7(2)9-5-4-8(3)6-9;1-2;/h7-9H,4-6H2,1-3H3;1-2H3;1H/t8-,9+;;/m0../s1.
What are the key properties of cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride?
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride has a molecular weight of 176.32 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride is sourced from PubChem (CID 169140803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).