(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide

C10H10FNO — CID 155426407

IUPAC(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide
SMILESC[C@H](C(N)=O)C1=CC(F)=CC=C=C1
InChIInChI=1S/C10H10FNO/c1-7(10(12)13)8-4-2-3-5-9(11)6-8/h3-7H,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyPPYNHIZZZTUQDG-ZETCQYMHSA-N
MW179.19 g/mol
LogP1.61
Rot. Bonds2

About (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide

(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide (PubChem CID 155426407) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide
PubChem CID155426407
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide
SMILESC[C@H](C(N)=O)C1=CC(F)=CC=C=C1
InChIInChI=1S/C10H10FNO/c1-7(10(12)13)8-4-2-3-5-9(11)6-8/h3-7H,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyPPYNHIZZZTUQDG-ZETCQYMHSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 69241906
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
(4Z,6E)-6-fluoronona-4,6,8-trienamide
CID 88586588
(4E,6E)-7-fluoro-4-methylnona-4,6-dienamide
CID 126690279
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217
4-Fluoro-3-methylcyclohepta-2,4,5-triene-1-carboxamide
CID 139540072
(3Z,5E)-3-ethenyl-5,8-difluoronona-3,5-dienamide
CID 145356893
5,6-Difluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 156273581
(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide
CID 163494123
4-Fluorocyclohepta-2,4,6-triene-1-carboxamide
CID 167262900
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienamide
CID 168164928

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide?
The IUPAC name of (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide (CID 155426407) is (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide?
The canonical SMILES for (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide is C[C@H](C(N)=O)C1=CC(F)=CC=C=C1.
What is the InChIKey of (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide?
The InChIKey is PPYNHIZZZTUQDG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7(10(12)13)8-4-2-3-5-9(11)6-8/h3-7H,1H3,(H2,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide?
(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide has a molecular weight of 179.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide is sourced from PubChem (CID 155426407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).