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

C10H18F2S — CID 174678051

IUPAC1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane
SMILESCCCSCC1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2S/c1-2-7-13-8-9-3-5-10(11,12)6-4-9/h9H,2-8H2,1H3
InChIKeyJWRLVBFLNQUMLX-UHFFFAOYSA-N
MW208.32 g/mol
LogP3.96
Rot. Bonds4

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

1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane (PubChem CID 174678051) has the molecular formula C10H18F2S and a molecular weight of 208.32 g/mol. Its IUPAC name is 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane
PubChem CID174678051
Molecular FormulaC10H18F2S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane
SMILESCCCSCC1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2S/c1-2-7-13-8-9-3-5-10(11,12)6-4-9/h9H,2-8H2,1H3
InChIKeyJWRLVBFLNQUMLX-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
CID 134254896
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
N-decyl-4,4-difluorocyclohexan-1-amine
CID 158702871
ethyl 2-amino-3-[(3,3-difluorocyclohexyl)methylsulfanyl]propanoate
CID 114224116
S-[(3,3-difluorocyclopentyl)methyl] ethanethioate
CID 119030898
trans-(1S,3S)-N-[(4,4-difluorocyclohexyl)methyl]-3-methylcyclopentan-1-amine
CID 169215553
4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
CID 159319848
4-bromobutylsulfanylmethylcyclopentane
CID 63118833
(4,4-difluorocyclohexyl)methanesulfonic acid
CID 154021800
1-(3,3-difluorocyclopentyl)-3-methyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 114225728

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane (CID 174678051) is 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane is CCCSCC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane?
The InChIKey is JWRLVBFLNQUMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2S/c1-2-7-13-8-9-3-5-10(11,12)6-4-9/h9H,2-8H2,1H3.
What are the key properties of 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane?
1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane has a molecular weight of 208.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane is sourced from PubChem (CID 174678051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).