1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane

C12H23FS — CID 71173731

IUPAC1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane
SMILESCC(C)SCC(C)C1CCC(F)CC1
InChIInChI=1S/C12H23FS/c1-9(2)14-8-10(3)11-4-6-12(13)7-5-11/h9-12H,4-8H2,1-3H3
InChIKeyPHODASZUEVNOON-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.29
Rot. Bonds4

About 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane

1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane (PubChem CID 71173731) has the molecular formula C12H23FS and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane
PubChem CID71173731
Molecular FormulaC12H23FS
Molecular Weight218.38 g/mol
Exact Mass218.15
IUPAC Name1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane
SMILESCC(C)SCC(C)C1CCC(F)CC1
InChIInChI=1S/C12H23FS/c1-9(2)14-8-10(3)11-4-6-12(13)7-5-11/h9-12H,4-8H2,1-3H3
InChIKeyPHODASZUEVNOON-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Thiopyran, tetrahydro-4-octyl-
CID 3049461
4-Cyclohexylthiane
CID 543539
3-Cyclohexylthiane
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4-Pentyltetrahydro-2H-thiopyran
CID 575328
(2S,4R)-2-cyclohexyl-4-fluorothiane
CID 25058583
(2R)-2-cyclohexyl-4-fluorothiane
CID 154715034
Ethylsulfanylmethylcyclohexane
CID 13816501
2-Methylsulfanylethylcyclohexane
CID 14024904
3-Pentylthiane
CID 23386516
(2S,4R)-2-methyl-4-pentylthiane
CID 66765465
1-Tert-butyl-4-butylsulfanylcyclohexane
CID 89814472
2-s-Butylthiacyclohexane
CID 90863504

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane?
The IUPAC name of 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane (CID 71173731) is 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane.
What is the SMILES notation for 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane?
The canonical SMILES for 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane is CC(C)SCC(C)C1CCC(F)CC1.
What is the InChIKey of 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane?
The InChIKey is PHODASZUEVNOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FS/c1-9(2)14-8-10(3)11-4-6-12(13)7-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane?
1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane has a molecular weight of 218.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane is sourced from PubChem (CID 71173731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).