2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane

C15H25F5O — CID 71228162

IUPAC2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane
SMILESCCCCC(CC)C1CCC(OC(F)C(F)(F)F)C(F)C1
InChIInChI=1S/C15H25F5O/c1-3-5-6-10(4-2)11-7-8-13(12(16)9-11)21-14(17)15(18,19)20/h10-14H,3-9H2,1-2H3
InChIKeyPZDLIZNTNKEBMB-UHFFFAOYSA-N
MW316.35 g/mol
LogP5.58
Rot. Bonds7

About 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane

2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane (PubChem CID 71228162) has the molecular formula C15H25F5O and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane.

Molecular Properties

Compound Name2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane
PubChem CID71228162
Molecular FormulaC15H25F5O
Molecular Weight316.35 g/mol
Exact Mass316.18
IUPAC Name2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane
SMILESCCCCC(CC)C1CCC(OC(F)C(F)(F)F)C(F)C1
InChIInChI=1S/C15H25F5O/c1-3-5-6-10(4-2)11-7-8-13(12(16)9-11)21-14(17)15(18,19)20/h10-14H,3-9H2,1-2H3
InChIKeyPZDLIZNTNKEBMB-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.35
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Tert-butyl-4-(trifluoromethoxy)cyclohexane
CID 138972410
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2-Fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
CID 18344037
1-Ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18344108
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
1-Nonoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane?
The IUPAC name of 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane (CID 71228162) is 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane.
What is the SMILES notation for 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane?
The canonical SMILES for 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane is CCCCC(CC)C1CCC(OC(F)C(F)(F)F)C(F)C1.
What is the InChIKey of 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane?
The InChIKey is PZDLIZNTNKEBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F5O/c1-3-5-6-10(4-2)11-7-8-13(12(16)9-11)21-14(17)15(18,19)20/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane?
2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane has a molecular weight of 316.35 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-heptan-3-yl-1-(1,2,2,2-tetrafluoroethoxy)cyclohexane is sourced from PubChem (CID 71228162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).