1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane

C17H30F2 — CID 18344032

IUPAC1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane
SMILESFCCCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C17H30F2/c18-12-1-2-14-3-7-16(8-4-14)17-9-5-15(6-10-17)11-13-19/h14-17H,1-13H2
InChIKeyJDYYOBBVSJVCDY-UHFFFAOYSA-N
MW272.42 g/mol
LogP5.71
Rot. Bonds6

About 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane

1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane (PubChem CID 18344032) has the molecular formula C17H30F2 and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane
PubChem CID18344032
Molecular FormulaC17H30F2
Molecular Weight272.42 g/mol
Exact Mass272.23
IUPAC Name1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane
SMILESFCCCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C17H30F2/c18-12-1-2-14-3-7-16(8-4-14)17-9-5-15(6-10-17)11-13-19/h14-17H,1-13H2
InChIKeyJDYYOBBVSJVCDY-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(trans,trans)-4-Pentyl-4'-(trifluoromethyl)-1,1'-bicyclohexyl
CID 57935354
Tricyclo(8.2.2.24,7)-hexadecane
CID 136117
4-Isopropyldicyclohexylmethane
CID 41262
1-Cyclohexyl-1-fluorocyclohexane
CID 13811913
1-Cyclohexyl-1-(4-ethylcyclohexyl)ethane
CID 549955
(trans,trans)-4-Propyl-4'-(trifluoromethyl)-1,1'-bicyclohexyl
CID 22182867
(3-Cyclohexyl-2-fluoropropyl)cyclohexane
CID 135066704
4-Butyl-1,1'-bicyclohexyl
CID 18609464
1,1'-Bicyclohexyl, 4-methyl-4'-propyl-
CID 543958
[(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane
CID 135037502
(3-Cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane
CID 162420156
[(1R,2R,3S,6S,7R,8R)-8-cyclohexyl-1,2,3,6,7,8-hexafluorooctyl]cyclohexane
CID 168353296

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane (CID 18344032) is 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane is FCCCC1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane?
The InChIKey is JDYYOBBVSJVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2/c18-12-1-2-14-3-7-16(8-4-14)17-9-5-15(6-10-17)11-13-19/h14-17H,1-13H2.
What are the key properties of 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane?
1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane has a molecular weight of 272.42 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[4-(3-fluoropropyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 18344032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).