1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene

C18H23ClF2 — CID 18344071

IUPAC1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene
SMILESFc1cc(C2CCC(C3CCC(F)CC3)CC2)ccc1Cl
InChIInChI=1S/C18H23ClF2/c19-17-10-7-15(11-18(17)21)14-3-1-12(2-4-14)13-5-8-16(20)9-6-13/h7,10-14,16H,1-6,8-9H2
InChIKeyWTMNEAWBVPAWFD-UHFFFAOYSA-N
MW312.83 g/mol
LogP6.28
Rot. Bonds2

About 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene

1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene (PubChem CID 18344071) has the molecular formula C18H23ClF2 and a molecular weight of 312.83 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene
PubChem CID18344071
Molecular FormulaC18H23ClF2
Molecular Weight312.83 g/mol
Exact Mass312.15
IUPAC Name1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene
SMILESFc1cc(C2CCC(C3CCC(F)CC3)CC2)ccc1Cl
InChIInChI=1S/C18H23ClF2/c19-17-10-7-15(11-18(17)21)14-3-1-12(2-4-14)13-5-8-16(20)9-6-13/h7,10-14,16H,1-6,8-9H2
InChIKeyWTMNEAWBVPAWFD-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.83
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 19076
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1-chloro-4-[(E)-2-(2-fluorophenyl)ethenyl]benzene
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CID 67761
4-(4-Chlorophenyl)-1,2-dihydronaphthalene
CID 233846
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CID 167830
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene (CID 18344071) is 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene is Fc1cc(C2CCC(C3CCC(F)CC3)CC2)ccc1Cl.
What is the InChIKey of 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene?
The InChIKey is WTMNEAWBVPAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF2/c19-17-10-7-15(11-18(17)21)14-3-1-12(2-4-14)13-5-8-16(20)9-6-13/h7,10-14,16H,1-6,8-9H2.
What are the key properties of 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene?
1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene has a molecular weight of 312.83 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 18344071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).