CID 140869837

C28H42F2NO2 — CID 140869837

IUPAC—
SMILESCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)N([O])C(C)(C)C4)c(F)c3F)CC2)CC1
InChIInChI=1S/C28H42F2NO2/c1-27(2)16-21(17-28(3,4)31(27)32)24-15-14-23(25(29)26(24)30)20-8-6-18(7-9-20)19-10-12-22(33-5)13-11-19/h14-15,18-22H,6-13,16-17H2,1-5H3
InChIKeyAOVLCZWVMMTFKU-UHFFFAOYSA-N
MW462.65 g/mol
LogP7.53
Rot. Bonds4

About CID 140869837

CID 140869837 (PubChem CID 140869837) has the molecular formula C28H42F2NO2 and a molecular weight of 462.65 g/mol.

Molecular Properties

Compound NameCID 140869837
PubChem CID140869837
Molecular FormulaC28H42F2NO2
Molecular Weight462.65 g/mol
Exact Mass462.32
IUPAC Name—
SMILESCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)N([O])C(C)(C)C4)c(F)c3F)CC2)CC1
InChIInChI=1S/C28H42F2NO2/c1-27(2)16-21(17-28(3,4)31(27)32)24-15-14-23(25(29)26(24)30)20-8-6-18(7-9-20)19-10-12-22(33-5)13-11-19/h14-15,18-22H,6-13,16-17H2,1-5H3
InChIKeyAOVLCZWVMMTFKU-UHFFFAOYSA-N
XLogP7.53
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.65
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
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1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
CID 20783054
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;ethane
CID 142540994
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
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Frequently Asked Questions

What is the IUPAC name of CID 140869837?
The IUPAC name of CID 140869837 (CID 140869837) is not available.
What is the SMILES notation for CID 140869837?
The canonical SMILES for CID 140869837 is COC1CCC(C2CCC(c3ccc(C4CC(C)(C)N([O])C(C)(C)C4)c(F)c3F)CC2)CC1.
What is the InChIKey of CID 140869837?
The InChIKey is AOVLCZWVMMTFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42F2NO2/c1-27(2)16-21(17-28(3,4)31(27)32)24-15-14-23(25(29)26(24)30)20-8-6-18(7-9-20)19-10-12-22(33-5)13-11-19/h14-15,18-22H,6-13,16-17H2,1-5H3.
What are the key properties of CID 140869837?
CID 140869837 has a molecular weight of 462.65 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140869837 is sourced from PubChem (CID 140869837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).