N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide

C13H14FNO — CID 141292879

IUPACN-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(CF)NC(=O)C1=CC=C2C=CC=C21
InChIInChI=1S/C13H14FNO/c1-13(2,8-14)15-12(16)11-7-6-9-4-3-5-10(9)11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyCDYMAJWGNNRXGN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.21
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide (PubChem CID 141292879) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
PubChem CID141292879
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(CF)NC(=O)C1=CC=C2C=CC=C21
InChIInChI=1S/C13H14FNO/c1-13(2,8-14)15-12(16)11-7-6-9-4-3-5-10(9)11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyCDYMAJWGNNRXGN-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide (CID 141292879) is N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide is CC(C)(CF)NC(=O)C1=CC=C2C=CC=C21.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide?
The InChIKey is CDYMAJWGNNRXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-13(2,8-14)15-12(16)11-7-6-9-4-3-5-10(9)11/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide has a molecular weight of 219.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide is sourced from PubChem (CID 141292879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).