N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide

C10H13F2NO2 — CID 141293186

IUPACN-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC(CO)(CF)CF)C1=CC=CC1
InChIInChI=1S/C10H13F2NO2/c11-5-10(6-12,7-14)13-9(15)8-3-1-2-4-8/h1-3,14H,4-7H2,(H,13,15)
InChIKeyCYXMDKJDVQYCKL-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.66
Rot. Bonds5

About N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide

N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 141293186) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID141293186
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC NameN-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC(CO)(CF)CF)C1=CC=CC1
InChIInChI=1S/C10H13F2NO2/c11-5-10(6-12,7-14)13-9(15)8-3-1-2-4-8/h1-3,14H,4-7H2,(H,13,15)
InChIKeyCYXMDKJDVQYCKL-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]pentalene-1-carboxamide
CID 141293088
N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293201
N-[3-(trifluoromethyl)oxetan-3-yl]cyclopenta-1,3-diene-1-carboxamide
CID 161163447
N-[(2R)-4,4,4-trifluoro-1-hydroxybutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
CID 161606722
N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
CID 161606723
N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 24794412
N-(2-cyano-1-hydroxypropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 117981645
N-(1,3-dihydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141292832
N-(1-hydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141292944
N-[1-(hydroxymethyl)cyclopropyl]cyclopenta-1,3-diene-1-carboxamide
CID 141292951
N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141293137
(2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide
CID 146534420

Frequently Asked Questions

What is the IUPAC name of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide (CID 141293186) is N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide is O=C(NC(CO)(CF)CF)C1=CC=CC1.
What is the InChIKey of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is CYXMDKJDVQYCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-5-10(6-12,7-14)13-9(15)8-3-1-2-4-8/h1-3,14H,4-7H2,(H,13,15).
What are the key properties of N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-fluoro-2-(fluoromethyl)-3-hydroxypropan-2-yl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 141293186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).