1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol

C23H37FOS — CID 143860467

IUPAC1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol
SMILESCCC1(C(O)CCC[C@@H]2C(CCCc3ccc(C)s3)CC[C@@H]2F)CCC1
InChIInChI=1S/C23H37FOS/c1-3-23(15-6-16-23)22(25)10-5-9-20-18(12-14-21(20)24)7-4-8-19-13-11-17(2)26-19/h11,13,18,20-22,25H,3-10,12,14-16H2,1-2H3/t18?,20-,21+,22?/m1/s1
InChIKeyXIDCZQJCEMENND-SGCCOESXSA-N
MW380.61 g/mol
LogP6.86
Rot. Bonds10

About 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol

1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol (PubChem CID 143860467) has the molecular formula C23H37FOS and a molecular weight of 380.61 g/mol. Its IUPAC name is 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol.

Molecular Properties

Compound Name1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol
PubChem CID143860467
Molecular FormulaC23H37FOS
Molecular Weight380.61 g/mol
Exact Mass380.25
IUPAC Name1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol
SMILESCCC1(C(O)CCC[C@@H]2C(CCCc3ccc(C)s3)CC[C@@H]2F)CCC1
InChIInChI=1S/C23H37FOS/c1-3-23(15-6-16-23)22(25)10-5-9-20-18(12-14-21(20)24)7-4-8-19-13-11-17(2)26-19/h11,13,18,20-22,25H,3-10,12,14-16H2,1-2H3/t18?,20-,21+,22?/m1/s1
InChIKeyXIDCZQJCEMENND-SGCCOESXSA-N
XLogP6.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol?
The IUPAC name of 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol (CID 143860467) is 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol.
What is the SMILES notation for 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol?
The canonical SMILES for 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol is CCC1(C(O)CCC[C@@H]2C(CCCc3ccc(C)s3)CC[C@@H]2F)CCC1.
What is the InChIKey of 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol?
The InChIKey is XIDCZQJCEMENND-SGCCOESXSA-N. The full InChI is InChI=1S/C23H37FOS/c1-3-23(15-6-16-23)22(25)10-5-9-20-18(12-14-21(20)24)7-4-8-19-13-11-17(2)26-19/h11,13,18,20-22,25H,3-10,12,14-16H2,1-2H3/t18?,20-,21+,22?/m1/s1.
What are the key properties of 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol?
1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol has a molecular weight of 380.61 g/mol, XLogP of 6.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclobutyl)-4-[(1R,2S)-2-fluoro-5-[3-(5-methylthiophen-2-yl)propyl]cyclopentyl]butan-1-ol is sourced from PubChem (CID 143860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).