2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane

C20H28F2O — CID 154524140

IUPAC2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane
SMILESCCCc1ccc(C2CCC(C3CCC(F)(F)OC3)CC2)cc1
InChIInChI=1S/C20H28F2O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(21,22)23-14-19/h4-7,17-19H,2-3,8-14H2,1H3
InChIKeyKMBPGBXVYGQVFA-UHFFFAOYSA-N
MW322.44 g/mol
LogP5.93
Rot. Bonds4

About 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane

2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane (PubChem CID 154524140) has the molecular formula C20H28F2O and a molecular weight of 322.44 g/mol. Its IUPAC name is 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane.

Molecular Properties

Compound Name2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane
PubChem CID154524140
Molecular FormulaC20H28F2O
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane
SMILESCCCc1ccc(C2CCC(C3CCC(F)(F)OC3)CC2)cc1
InChIInChI=1S/C20H28F2O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(21,22)23-14-19/h4-7,17-19H,2-3,8-14H2,1H3
InChIKeyKMBPGBXVYGQVFA-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane
CID 154524141
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
4-[4-(4-propylphenyl)cyclohexyl]cyclohexan-1-one;8-[4-(4-propylphenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 158107589
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
CID 130352058
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
2,2-difluoro-5-(4-propylcyclohexyl)oxane
CID 154524129
2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran
CID 154524218
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane?
The IUPAC name of 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane (CID 154524140) is 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane.
What is the SMILES notation for 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane?
The canonical SMILES for 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane is CCCc1ccc(C2CCC(C3CCC(F)(F)OC3)CC2)cc1.
What is the InChIKey of 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane?
The InChIKey is KMBPGBXVYGQVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(21,22)23-14-19/h4-7,17-19H,2-3,8-14H2,1H3.
What are the key properties of 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane?
2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane has a molecular weight of 322.44 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane is sourced from PubChem (CID 154524140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).