4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene

C23H31F2NO — CID 144791847

IUPAC4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene
SMILESC=C(N)C(C)C(C)(O)C(F)F.CCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18.C7H13F2NO/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-4(5(2)10)7(3,11)6(8)9/h5-12H,3-4H2,1-2H3;4,6,11H,2,10H2,1,3H3
InChIKeyCOCIWYOTHXUAAR-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.73
Rot. Bonds6

About 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene

4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene (PubChem CID 144791847) has the molecular formula C23H31F2NO and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene
PubChem CID144791847
Molecular FormulaC23H31F2NO
Molecular Weight375.50 g/mol
Exact Mass375.24
IUPAC Name4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene
SMILESC=C(N)C(C)C(C)(O)C(F)F.CCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18.C7H13F2NO/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-4(5(2)10)7(3,11)6(8)9/h5-12H,3-4H2,1-2H3;4,6,11H,2,10H2,1,3H3
InChIKeyCOCIWYOTHXUAAR-UHFFFAOYSA-N
XLogP5.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene?
The IUPAC name of 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene (CID 144791847) is 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene?
The canonical SMILES for 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene is C=C(N)C(C)C(C)(O)C(F)F.CCCc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene?
The InChIKey is COCIWYOTHXUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C7H13F2NO/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-4(5(2)10)7(3,11)6(8)9/h5-12H,3-4H2,1-2H3;4,6,11H,2,10H2,1,3H3.
What are the key properties of 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene?
4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene has a molecular weight of 375.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 144791847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).