1,4-bis(2-fluorobutyl)cyclohexane

C14H26F2 — CID 91135267

IUPAC1,4-bis(2-fluorobutyl)cyclohexane
SMILESCCC(F)CC1CCC(CC(F)CC)CC1
InChIInChI=1S/C14H26F2/c1-3-13(15)9-11-5-7-12(8-6-11)10-14(16)4-2/h11-14H,3-10H2,1-2H3
InChIKeyUAEQXKGJPASFGP-UHFFFAOYSA-N
MW232.36 g/mol
LogP5.07
Rot. Bonds6

About 1,4-bis(2-fluorobutyl)cyclohexane

1,4-bis(2-fluorobutyl)cyclohexane (PubChem CID 91135267) has the molecular formula C14H26F2 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1,4-bis(2-fluorobutyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(2-fluorobutyl)cyclohexane
PubChem CID91135267
Molecular FormulaC14H26F2
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1,4-bis(2-fluorobutyl)cyclohexane
SMILESCCC(F)CC1CCC(CC(F)CC)CC1
InChIInChI=1S/C14H26F2/c1-3-13(15)9-11-5-7-12(8-6-11)10-14(16)4-2/h11-14H,3-10H2,1-2H3
InChIKeyUAEQXKGJPASFGP-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-fluorobutyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 22375166
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
(2R)-3-cyclopentyl-2-fluoropropan-1-ol
CID 129375583
[(1S)-1-fluoropropyl]cyclopropane
CID 158184537
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
(2-chloro-3-methylpentyl)cyclopropane
CID 130480709
1-cyclopropyl-3-fluorobutan-2-amine
CID 84648134
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
(2S)-3-cyclobutyl-2-fluoropropan-1-amine
CID 129375572
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
2-ethylpent-3-enylcyclopropane
CID 123730864

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-fluorobutyl)cyclohexane?
The IUPAC name of 1,4-bis(2-fluorobutyl)cyclohexane (CID 91135267) is 1,4-bis(2-fluorobutyl)cyclohexane.
What is the SMILES notation for 1,4-bis(2-fluorobutyl)cyclohexane?
The canonical SMILES for 1,4-bis(2-fluorobutyl)cyclohexane is CCC(F)CC1CCC(CC(F)CC)CC1.
What is the InChIKey of 1,4-bis(2-fluorobutyl)cyclohexane?
The InChIKey is UAEQXKGJPASFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2/c1-3-13(15)9-11-5-7-12(8-6-11)10-14(16)4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1,4-bis(2-fluorobutyl)cyclohexane?
1,4-bis(2-fluorobutyl)cyclohexane has a molecular weight of 232.36 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-fluorobutyl)cyclohexane is sourced from PubChem (CID 91135267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).