4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine

C15H24FNO — CID 71194659

IUPAC4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine
SMILESCC(C)C1C=CC(F)=C(CN2CCOCC2)[C@H]1C
InChIInChI=1S/C15H24FNO/c1-11(2)13-4-5-15(16)14(12(13)3)10-17-6-8-18-9-7-17/h4-5,11-13H,6-10H2,1-3H3/t12-,13?/m0/s1
InChIKeyVBPJOMSIMKDBRS-UEWDXFNNSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds3

About 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine

4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine (PubChem CID 71194659) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine
PubChem CID71194659
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine
SMILESCC(C)C1C=CC(F)=C(CN2CCOCC2)[C@H]1C
InChIInChI=1S/C15H24FNO/c1-11(2)13-4-5-15(16)14(12(13)3)10-17-6-8-18-9-7-17/h4-5,11-13H,6-10H2,1-3H3/t12-,13?/m0/s1
InChIKeyVBPJOMSIMKDBRS-UEWDXFNNSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine?
The IUPAC name of 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine (CID 71194659) is 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine?
The canonical SMILES for 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine is CC(C)C1C=CC(F)=C(CN2CCOCC2)[C@H]1C.
What is the InChIKey of 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine?
The InChIKey is VBPJOMSIMKDBRS-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(2)13-4-5-15(16)14(12(13)3)10-17-6-8-18-9-7-17/h4-5,11-13H,6-10H2,1-3H3/t12-,13?/m0/s1.
What are the key properties of 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine?
4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine has a molecular weight of 253.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine is sourced from PubChem (CID 71194659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).