(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane

C12H23F — CID 170622501

IUPAC(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane
SMILESCCCCC1(CC)C[C@@H](F)CC1C
InChIInChI=1S/C12H23F/c1-4-6-7-12(5-2)9-11(13)8-10(12)3/h10-11H,4-9H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyXEPPLURTGBCQHK-CXQJBGSLSA-N
MW186.31 g/mol
LogP4.34
Rot. Bonds4

About (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane

(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane (PubChem CID 170622501) has the molecular formula C12H23F and a molecular weight of 186.31 g/mol. Its IUPAC name is (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane.

Molecular Properties

Compound Name(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane
PubChem CID170622501
Molecular FormulaC12H23F
Molecular Weight186.31 g/mol
Exact Mass186.18
IUPAC Name(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane
SMILESCCCCC1(CC)C[C@@H](F)CC1C
InChIInChI=1S/C12H23F/c1-4-6-7-12(5-2)9-11(13)8-10(12)3/h10-11H,4-9H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyXEPPLURTGBCQHK-CXQJBGSLSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-methyl-1-propylcyclopropane
CID 123815284
5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine
CID 163761347
1-ethyl-1-(2-methoxyethyl)-2-methylcyclopropane
CID 164557776
CID 123789898
CID 123789898
5,5-dibutylbicyclo[2.2.1]hept-2-ene
CID 21426205
2-bromo-1,1-dihexylcyclopropane
CID 71500159
1,1-dibutyl-2-ethylcyclobutane
CID 123938978
(2-butyl-2-bicyclo[2.2.1]hept-5-enyl)methanol
CID 139996139
trans-(1R,4S)-1-butyl-4-fluoro-2-methylidene-1-propan-2-ylcyclopentane
CID 162730733
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
1-butyl-1-(1-butyl-2-methylcyclohexyl)sulfanyl-2-methylcyclohexane
CID 141375893
1-butyl-1,3-dimethylcyclopentane
CID 123273889

Frequently Asked Questions

What is the IUPAC name of (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane?
The IUPAC name of (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane (CID 170622501) is (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane.
What is the SMILES notation for (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane?
The canonical SMILES for (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane is CCCCC1(CC)C[C@@H](F)CC1C.
What is the InChIKey of (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane?
The InChIKey is XEPPLURTGBCQHK-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H23F/c1-4-6-7-12(5-2)9-11(13)8-10(12)3/h10-11H,4-9H2,1-3H3/t10?,11-,12?/m0/s1.
What are the key properties of (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane?
(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane has a molecular weight of 186.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane is sourced from PubChem (CID 170622501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).