1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane

C8H14F2S — CID 134254896

IUPAC1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
SMILESCSCC1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2S/c1-11-6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3
InChIKeyRWACACCEAIQRDS-UHFFFAOYSA-N
MW180.26 g/mol
LogP3.17
Rot. Bonds2

About 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane

1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane (PubChem CID 134254896) has the molecular formula C8H14F2S and a molecular weight of 180.26 g/mol. Its IUPAC name is 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
PubChem CID134254896
Molecular FormulaC8H14F2S
Molecular Weight180.26 g/mol
Exact Mass180.08
IUPAC Name1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
SMILESCSCC1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2S/c1-11-6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3
InChIKeyRWACACCEAIQRDS-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane
CID 174678051
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
1-ethenyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
CID 130834783
1-amino-4-(methylsulfanylmethyl)cyclohexane-1-carbonitrile
CID 130762628
acetic acid;methylsulfanylmethylcyclopropane
CID 161126326
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
S-[(3,3-difluorocyclopentyl)methyl] ethanethioate
CID 119030898
trans-(3S,5S)-1,1-difluoro-3-(methylsulfanylmethyl)-5-(trifluoromethyl)cyclohexane
CID 139292427
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
CID 159319848
(4,4-difluorocyclohexyl)methanesulfonic acid
CID 154021800

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane (CID 134254896) is 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane is CSCC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane?
The InChIKey is RWACACCEAIQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2S/c1-11-6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane?
1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane has a molecular weight of 180.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane is sourced from PubChem (CID 134254896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).