(1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane

C20H34F2O — CID 126738420

IUPAC(1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane
SMILESC=CC1CCC(C(CC)CC[C@@H]2CCC(OC)C(F)C2F)CC1
InChIInChI=1S/C20H34F2O/c1-4-14-6-8-16(9-7-14)15(5-2)10-11-17-12-13-18(23-3)20(22)19(17)21/h4,14-20H,1,5-13H2,2-3H3/t14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyZZXMAZQNAXVHML-SBXUMLPXSA-N
MW328.49 g/mol
LogP5.89
Rot. Bonds7

About (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane

(1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane (PubChem CID 126738420) has the molecular formula C20H34F2O and a molecular weight of 328.49 g/mol. Its IUPAC name is (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane.

Molecular Properties

Compound Name(1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane
PubChem CID126738420
Molecular FormulaC20H34F2O
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name(1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane
SMILESC=CC1CCC(C(CC)CC[C@@H]2CCC(OC)C(F)C2F)CC1
InChIInChI=1S/C20H34F2O/c1-4-14-6-8-16(9-7-14)15(5-2)10-11-17-12-13-18(23-3)20(22)19(17)21/h4,14-20H,1,5-13H2,2-3H3/t14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyZZXMAZQNAXVHML-SBXUMLPXSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethenylcyclohexyl)propan-1-ol
CID 141349608
3-chloro-2-fluoro-1-methoxy-4-(4-methylheptyl)cyclohexane
CID 122432954
1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane
CID 19070054
pentan-3-ylcyclopropane
CID 19042038
1-ethenyl-4-[1-(4-ethenylcyclohexyl)ethyl]cyclohexane
CID 153439228
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
3-(3-cyclopropylpentyl)azetidine
CID 126661924
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxycyclohexane;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxycyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;1,2,3-trifluoro-4-methoxycyclohexane;pentahydrate
CID 161363059
3-cyclopropylpentan-1-amine
CID 64919361
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
1-[(2,3-difluoro-4-methylcyclohexyl)methyl]-4-ethenylcycloheptane
CID 143761329
bis(4-ethenylcyclohexyl)methanol
CID 153439231

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane?
The IUPAC name of (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane (CID 126738420) is (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane.
What is the SMILES notation for (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane?
The canonical SMILES for (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane is C=CC1CCC(C(CC)CC[C@@H]2CCC(OC)C(F)C2F)CC1.
What is the InChIKey of (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane?
The InChIKey is ZZXMAZQNAXVHML-SBXUMLPXSA-N. The full InChI is InChI=1S/C20H34F2O/c1-4-14-6-8-16(9-7-14)15(5-2)10-11-17-12-13-18(23-3)20(22)19(17)21/h4,14-20H,1,5-13H2,2-3H3/t14?,15?,16?,17-,18?,19?,20?/m1/s1.
What are the key properties of (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane?
(1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane has a molecular weight of 328.49 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-ethenylcyclohexyl)pentyl]-2,3-difluoro-4-methoxycyclohexane is sourced from PubChem (CID 126738420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).