1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride

C21H31F5S — CID 67939384

IUPAC1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride
SMILESCCCc1ccc(C2CCC(Sc3ccccc3)CC2)cc1.F.F.F.F.F
InChIInChI=1S/C21H26S.5FH/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)22-20-7-4-3-5-8-20;;;;;/h3-5,7-12,19,21H,2,6,13-16H2,1H3;5*1H
InChIKeyDZDYVVRZGPPOIJ-UHFFFAOYSA-N
MW410.54 g/mol
LogP7.22
Rot. Bonds5

About 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride

1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride (PubChem CID 67939384) has the molecular formula C21H31F5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride.

Molecular Properties

Compound Name1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride
PubChem CID67939384
Molecular FormulaC21H31F5S
Molecular Weight410.54 g/mol
Exact Mass410.21
IUPAC Name1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride
SMILESCCCc1ccc(C2CCC(Sc3ccccc3)CC2)cc1.F.F.F.F.F
InChIInChI=1S/C21H26S.5FH/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)22-20-7-4-3-5-8-20;;;;;/h3-5,7-12,19,21H,2,6,13-16H2,1H3;5*1H
InChIKeyDZDYVVRZGPPOIJ-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-(4-phenylsulfanylcyclohexyl)benzene;pentahydrofluoride
CID 67939353
1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene
CID 19992933
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
phenylsulfanyl 4-(4-octylphenyl)cyclohexane-1-carboxylate;pentahydrofluoride
CID 67939402
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
phenylsulfanyl 4-(4-hexylphenyl)cyclohexane-1-carboxylate
CID 19993171
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride?
The IUPAC name of 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride (CID 67939384) is 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride.
What is the SMILES notation for 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride?
The canonical SMILES for 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride is CCCc1ccc(C2CCC(Sc3ccccc3)CC2)cc1.F.F.F.F.F.
What is the InChIKey of 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride?
The InChIKey is DZDYVVRZGPPOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26S.5FH/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)22-20-7-4-3-5-8-20;;;;;/h3-5,7-12,19,21H,2,6,13-16H2,1H3;5*1H.
What are the key properties of 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride?
1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride has a molecular weight of 410.54 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylsulfanylcyclohexyl)-4-propylbenzene;pentahydrofluoride is sourced from PubChem (CID 67939384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).